3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride

C12H23ClN2O3S — CID 119684491

IUPAC3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1(NC(=O)C2CCCC(N)C2)CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-12(5-6-18(16,17)8-12)14-11(15)9-3-2-4-10(13)7-9;/h9-10H,2-8,13H2,1H3,(H,14,15);1H
InChIKeyRZWIBDJWQYCUQY-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.62
Rot. Bonds2

About 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119684491) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119684491
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1(NC(=O)C2CCCC(N)C2)CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-12(5-6-18(16,17)8-12)14-11(15)9-3-2-4-10(13)7-9;/h9-10H,2-8,13H2,1H3,(H,14,15);1H
InChIKeyRZWIBDJWQYCUQY-UHFFFAOYSA-N
XLogP0.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride 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-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119790519
3-amino-N-(1,1-dioxothian-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119784472
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide
CID 102777683
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 79878952
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51671181
1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide;hydrochloride
CID 119767221
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79112855
1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide
CID 119767184
3-amino-N-(1-phenylcyclopentyl)cyclohexane-1-carboxamide
CID 119786235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119684491) is 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride is CC1(NC(=O)C2CCCC(N)C2)CCS(=O)(=O)C1.Cl.
What is the InChIKey of 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RZWIBDJWQYCUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c1-12(5-6-18(16,17)8-12)14-11(15)9-3-2-4-10(13)7-9;/h9-10H,2-8,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119684491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).