Chemical ID: 6179151

CC(C)(C)C(=O)NC1=C(SCC1)C(=O)OC
Chemical ID:
6179151
Name [?]:
methyl 3-(2,2-dimethylpropanoylamino)-4,5-dihydrothiophene-2-carboxylate
SMILES [?]:
CC(C)(C)C(=O)NC1=C(SCC1)C(=O)OC
InChi [?]:
InChI=1/C11H17NO3S/c1-11(2,3)10(14)12-7-5-6-16-8(7)9(13)15-4/h5-6H2,1-4H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,12,11,8,9,13,5,2,7,14,6,15,10/E:(1,2,3)/rA:16nCCCCCONCCSCCCOOC/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;s10;s8s11;s9;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.4179
Area:416.333
Solvation:-1.99043
Coulombic:-41.031
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.324
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.48
LogP (Chemaxon):0.49

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Descriptor Annotations

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