5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine

C16H24ClNOS — CID 79862922

IUPAC5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)c2ccccc2Cl)CCC1(C)C
InChIInChI=1S/C16H24ClNOS/c1-4-11-18-15-14(9-10-16(15,2)3)20(19)13-8-6-5-7-12(13)17/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyDLNDVKGEPQDWBZ-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.00
Rot. Bonds5

About 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79862922) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79862922
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)c2ccccc2Cl)CCC1(C)C
InChIInChI=1S/C16H24ClNOS/c1-4-11-18-15-14(9-10-16(15,2)3)20(19)13-8-6-5-7-12(13)17/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyDLNDVKGEPQDWBZ-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-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

5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866209
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107760677
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile
CID 64690449
1-chloro-2-[(1R,2R)-2-(methoxymethyl)cyclopentyl]sulfinylbenzene
CID 11086921
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
CID 79865413

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79862922) is 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)c2ccccc2Cl)CCC1(C)C.
What is the InChIKey of 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is DLNDVKGEPQDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-4-11-18-15-14(9-10-16(15,2)3)20(19)13-8-6-5-7-12(13)17/h5-8,14-15,18H,4,9-11H2,1-3H3.
What are the key properties of 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).