3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide

C13H20N2O2S — CID 43715534

IUPAC3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-15(2)18(16,17)13-9-5-8-12(10-13)14-11-6-3-4-7-11/h5,8-11,14H,3-4,6-7H2,1-2H3
InChIKeyYQXWYHQIUIVWRC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.29
Rot. Bonds4

About 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide

3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 43715534) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID43715534
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-15(2)18(16,17)13-9-5-8-12(10-13)14-11-6-3-4-7-11/h5,8-11,14H,3-4,6-7H2,1-2H3
InChIKeyYQXWYHQIUIVWRC-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43715600
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
CID 54906646
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
1-(cyclopentylamino)-3-(sulfamoylamino)benzene
CID 43741971
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide (CID 43715534) is 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is YQXWYHQIUIVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(2)18(16,17)13-9-5-8-12(10-13)14-11-6-3-4-7-11/h5,8-11,14H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide?
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43715534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).