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Chemical ID: 4506365
Chemical ID:
4506365
Name [?]:
N-methyl-3-methylsulfanyl-N-[2-(2-pyridyl)ethyl]propan-1-amine
SMILES [?]:
CN(CCCSC)CCc1ccccn1
InChi [?]:
InChI=1/C12H20N2S/c1-14(9-5-11-15-2)10-7-12-6-3-4-8-13-12/h3-4,6,8H,5,7,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,12,13,4,11,9,14,3,8,5,10,15,2,6/rA:15cCNCCCSCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s2;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.27589 |
Area: | 448.786 |
Solvation: | -1.94375 |
Coulombic: | -11.2608 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 224.367 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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