3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide

C16H23BrN2OS — CID 79635701

IUPAC3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(Sc2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2OS/c1-2-10-19-16(15(18)20)9-3-4-14(11-16)21-13-7-5-12(17)6-8-13/h5-8,14,19H,2-4,9-11H2,1H3,(H2,18,20)
InChIKeyLXNIPJYJDQRPNR-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.71
Rot. Bonds6

About 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide

3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79635701) has the molecular formula C16H23BrN2OS and a molecular weight of 371.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79635701
Molecular FormulaC16H23BrN2OS
Molecular Weight371.34 g/mol
Exact Mass370.07
IUPAC Name3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(Sc2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2OS/c1-2-10-19-16(15(18)20)9-3-4-14(11-16)21-13-7-5-12(17)6-8-13/h5-8,14,19H,2-4,9-11H2,1H3,(H2,18,20)
InChIKeyLXNIPJYJDQRPNR-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-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

3-(2-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635712
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79634793
methyl 3-phenylsulfanyl-1-(propylamino)cyclopentane-1-carboxylate
CID 79653522
1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635583
3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 107755218
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294
3-(4-bromophenyl)sulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653433
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637925

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide (CID 79635701) is 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(Sc2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is LXNIPJYJDQRPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2OS/c1-2-10-19-16(15(18)20)9-3-4-14(11-16)21-13-7-5-12(17)6-8-13/h5-8,14,19H,2-4,9-11H2,1H3,(H2,18,20).
What are the key properties of 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79635701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).