2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine

C17H26ClNOS — CID 64660130

IUPAC2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClNOS/c1-4-10-19-15-8-9-17(2,3)12-16(15)21(20)14-7-5-6-13(18)11-14/h5-7,11,15-16,19H,4,8-10,12H2,1-3H3
InChIKeyMLORQVGDJWXQMU-UHFFFAOYSA-N
MW327.92 g/mol
LogP4.39
Rot. Bonds5

About 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine

2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64660130) has the molecular formula C17H26ClNOS and a molecular weight of 327.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64660130
Molecular FormulaC17H26ClNOS
Molecular Weight327.92 g/mol
Exact Mass327.14
IUPAC Name2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClNOS/c1-4-10-19-15-8-9-17(2,3)12-16(15)21(20)14-7-5-6-13(18)11-14/h5-7,11,15-16,19H,4,8-10,12H2,1-3H3
InChIKeyMLORQVGDJWXQMU-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.92
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine 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-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64659067
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
2-(3,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658495
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine (CID 64660130) is 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is MLORQVGDJWXQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNOS/c1-4-10-19-15-8-9-17(2,3)12-16(15)21(20)14-7-5-6-13(18)11-14/h5-7,11,15-16,19H,4,8-10,12H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 327.92 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64660130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).