N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide

C13H16N2O2S — CID 64554330

IUPACN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide
SMILESCc1ccc(C#CCN)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H16N2O2S/c1-10-4-5-11(3-2-8-14)9-13(10)15-18(16,17)12-6-7-12/h4-5,9,12,15H,6-8,14H2,1H3
InChIKeyUUHZWIZDJNHJHA-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.21
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide

N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide (PubChem CID 64554330) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide
PubChem CID64554330
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide
SMILESCc1ccc(C#CCN)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C13H16N2O2S/c1-10-4-5-11(3-2-8-14)9-13(10)15-18(16,17)12-6-7-12/h4-5,9,12,15H,6-8,14H2,1H3
InChIKeyUUHZWIZDJNHJHA-UHFFFAOYSA-N
XLogP1.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.21
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-methylphenyl]cyclopentanesulfonamide
CID 105361546
5-(3-aminoprop-1-ynyl)-N-(tert-butylsulfamoyl)-2-methylaniline
CID 114812083
4-(3-aminoprop-1-ynyl)-1-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61454068
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-2-methylbenzenesulfonamide
CID 54926307
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002397
5-(3-aminoprop-1-ynyl)-2-methylbenzenesulfonamide
CID 60846015
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-methylpropane-2-sulfonamide
CID 63687882
5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-2-methylbenzenesulfonamide
CID 60843963
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
CID 79151985

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide (CID 64554330) is N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide is Cc1ccc(C#CCN)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide?
The InChIKey is UUHZWIZDJNHJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10-4-5-11(3-2-8-14)9-13(10)15-18(16,17)12-6-7-12/h4-5,9,12,15H,6-8,14H2,1H3.
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide?
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 64554330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).