1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide

C13H16Cl2N2OS — CID 79635792

IUPAC1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(Sc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2OS/c14-10-4-3-8(6-11(10)15)19-9-2-1-5-13(17,7-9)12(16)18/h3-4,6,9H,1-2,5,7,17H2,(H2,16,18)
InChIKeyHRRULTBPGMBNDY-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.21
Rot. Bonds3

About 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide

1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide (PubChem CID 79635792) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
PubChem CID79635792
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC Name1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(Sc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2OS/c14-10-4-3-8(6-11(10)15)19-9-2-1-5-13(17,7-9)12(16)18/h3-4,6,9H,1-2,5,7,17H2,(H2,16,18)
InChIKeyHRRULTBPGMBNDY-UHFFFAOYSA-N
XLogP3.21
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide 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

1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide
CID 79653394
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964
[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
CID 79638931
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
methyl 1-amino-3-(2,5-dichlorophenyl)sulfanylcyclohexane-1-carboxylate
CID 79634625
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
CID 79654187
1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
CID 79634807
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
CID 79635164
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79644568

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide (CID 79635792) is 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide is NC(=O)C1(N)CCCC(Sc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide?
The InChIKey is HRRULTBPGMBNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c14-10-4-3-8(6-11(10)15)19-9-2-1-5-13(17,7-9)12(16)18/h3-4,6,9H,1-2,5,7,17H2,(H2,16,18).
What are the key properties of 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide?
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide has a molecular weight of 319.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79635792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).