trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid

C14H15NO3S — CID 10778908

IUPACtrans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid
SMILESC=CCS[C@H]1C[C@]1(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H15NO3S/c1-2-8-19-11-9-14(11,13(17)18)15-12(16)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,15,16)(H,17,18)/t11-,14+/m0/s1
InChIKeyIXVBIIUWQHSSMV-SMDDNHRTSA-N
MW277.34 g/mol
LogP1.93
Rot. Bonds6

About trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid

trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid (PubChem CID 10778908) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid
PubChem CID10778908
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Nametrans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid
SMILESC=CCS[C@H]1C[C@]1(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H15NO3S/c1-2-8-19-11-9-14(11,13(17)18)15-12(16)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,15,16)(H,17,18)/t11-,14+/m0/s1
InChIKeyIXVBIIUWQHSSMV-SMDDNHRTSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
(1S,6R)-1-benzamido-6-hydroxy-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 11346785
(1S,2R,4R,5S)-1-benzamido-2,5-dihydroxy-4-methylcyclohexane-1-carboxylic acid
CID 101111926
1-benzamido-2-(3-bromobenzoyl)cyclopropane-1-carboxylic acid
CID 70256965
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
1-benzamido-2-(3-chlorobenzoyl)cyclopropane-1-carboxylic acid
CID 70256454
1-[(3-bromobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84558954
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide
CID 57086940
trans-(1S,2R)-2-ethenyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
CID 162342071
prop-2-enyl 2-benzamidopropanoate
CID 2910482

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid (CID 10778908) is trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid is C=CCS[C@H]1C[C@]1(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid?
The InChIKey is IXVBIIUWQHSSMV-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-8-19-11-9-14(11,13(17)18)15-12(16)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,15,16)(H,17,18)/t11-,14+/m0/s1.
What are the key properties of trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid?
trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-benzamido-2-prop-2-enylsulfanylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10778908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).