N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide

C14H18N2O2S — CID 105361542

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
SMILESNCC#Cc1cccc(NS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C14H18N2O2S/c15-10-4-6-12-5-3-7-13(11-12)16-19(17,18)14-8-1-2-9-14/h3,5,7,11,14,16H,1-2,8-10,15H2
InChIKeyWZMVPIUKHOPQBC-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.68
Rot. Bonds3

About N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide

N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide (PubChem CID 105361542) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
PubChem CID105361542
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
SMILESNCC#Cc1cccc(NS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C14H18N2O2S/c15-10-4-6-12-5-3-7-13(11-12)16-19(17,18)14-8-1-2-9-14/h3,5,7,11,14,16H,1-2,8-10,15H2
InChIKeyWZMVPIUKHOPQBC-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
N-(3-ethynylphenyl)cyclopentanesulfonamide
CID 115606508
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide
CID 105361546
3-(3-aminoprop-1-ynyl)-N-(methylsulfamoyl)aniline
CID 114812051
N-[3-(3-aminoprop-1-ynyl)phenyl]methanesulfonamide;hydrochloride
CID 42961325
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylsulfonylethanesulfonamide
CID 63243098
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide
CID 64554330
N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60813110
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methoxypropane-1-sulfonamide
CID 63288341

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide (CID 105361542) is N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide is NCC#Cc1cccc(NS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide?
The InChIKey is WZMVPIUKHOPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-10-4-6-12-5-3-7-13(11-12)16-19(17,18)14-8-1-2-9-14/h3,5,7,11,14,16H,1-2,8-10,15H2.
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide?
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).