3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C13H18N2O2S — CID 82178970

IUPAC3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cccc(CC(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-13(2,8-16)15-12(17)10-5-3-4-9(6-10)7-11(14)18/h3-6,16H,7-8H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyGENDWORFNSDHNN-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.02
Rot. Bonds5

About 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 82178970) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID82178970
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cccc(CC(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-13(2,8-16)15-12(17)10-5-3-4-9(6-10)7-11(14)18/h3-6,16H,7-8H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyGENDWORFNSDHNN-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide 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

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486078
3-(2-amino-2-sulfanylideneethyl)-N-(4-ethylphenyl)benzamide
CID 82179523
3-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390448
3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
CID 82179287
3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
CID 82179528
3-(2-amino-2-sulfanylideneethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 94806379
4-(2-amino-2-sulfanylideneethyl)-N-tert-butylbenzamide
CID 82178859
3-(2-amino-2-sulfanylideneethyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 94806381
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-tert-butyl-3-carbamothioylbenzamide
CID 24700887
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 82178970) is 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cccc(CC(N)=S)c1.
What is the InChIKey of 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is GENDWORFNSDHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,8-16)15-12(17)10-5-3-4-9(6-10)7-11(14)18/h3-6,16H,7-8H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 266.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 82178970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).