2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine

C14H20ClNO2S — CID 64673642

IUPAC2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2S/c1-2-9-16-13-7-4-8-14(13)19(17,18)12-6-3-5-11(15)10-12/h3,5-6,10,13-14,16H,2,4,7-9H2,1H3
InChIKeyOJWDGKXYLLIDCX-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine

2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine (PubChem CID 64673642) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
PubChem CID64673642
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2S/c1-2-9-16-13-7-4-8-14(13)19(17,18)12-6-3-5-11(15)10-12/h3,5-6,10,13-14,16H,2,4,7-9H2,1H3
InChIKeyOJWDGKXYLLIDCX-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956
2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 107759062
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577668
2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
(3R,4S)-4-(4-chlorophenyl)sulfonyl-1,1-dioxo-N-propylthiolan-3-amine
CID 124655517
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine (CID 64673642) is 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine?
The InChIKey is OJWDGKXYLLIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-9-16-13-7-4-8-14(13)19(17,18)12-6-3-5-11(15)10-12/h3,5-6,10,13-14,16H,2,4,7-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine?
2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine has a molecular weight of 301.84 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64673642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).