Chemical ID: 7087161

CC(C)(C)OC(=O)N1CSCC1CN
Chemical ID:
7087161
Name [?]:
tert-butyl 4-(aminomethyl)thiazolidine-3-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CSCC1CN
InChi [?]:
InChI=1/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,11,9,12,6,2,14,8,7,5,10/E:(1,2,3)/rA:14cCCCCOCONCSCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O2S
All Atoms:32
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.57298
Area:379.256
Solvation:-1.90842
Coulombic:-41.4243
Bond Count [?]
All:14
Single:13
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.318
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):0.77

Name Annotations

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Descriptor Annotations

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