Chemical ID: 4506365

CN(CCCSC)CCc1ccccn1
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

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Experimental Annotations

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Descriptor Annotations

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