N-[3-(cyclopentylamino)phenyl]methanesulfonamide

C12H18N2O2S — CID 28731342

IUPACN-[3-(cyclopentylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NC2CCCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-12-8-4-7-11(9-12)13-10-5-2-3-6-10/h4,7-10,13-14H,2-3,5-6H2,1H3
InChIKeyVUESBPWFWWCCJP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.41
Rot. Bonds4

About N-[3-(cyclopentylamino)phenyl]methanesulfonamide

N-[3-(cyclopentylamino)phenyl]methanesulfonamide (PubChem CID 28731342) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)phenyl]methanesulfonamide
PubChem CID28731342
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[3-(cyclopentylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NC2CCCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-12-8-4-7-11(9-12)13-10-5-2-3-6-10/h4,7-10,13-14H,2-3,5-6H2,1H3
InChIKeyVUESBPWFWWCCJP-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(cyclopentylamino)phenyl]methanesulfonamide (CID 28731342) is N-[3-(cyclopentylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(cyclopentylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(cyclopentylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NC2CCCC2)c1.
What is the InChIKey of N-[3-(cyclopentylamino)phenyl]methanesulfonamide?
The InChIKey is VUESBPWFWWCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)14-12-8-4-7-11(9-12)13-10-5-2-3-6-10/h4,7-10,13-14H,2-3,5-6H2,1H3.
What are the key properties of N-[3-(cyclopentylamino)phenyl]methanesulfonamide?
N-[3-(cyclopentylamino)phenyl]methanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 28731342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).