N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide

C15H20N2O2S — CID 105361546

IUPACN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide
SMILESCc1cc(C#CCN)ccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-12-11-13(5-4-10-16)8-9-15(12)17-20(18,19)14-6-2-3-7-14/h8-9,11,14,17H,2-3,6-7,10,16H2,1H3
InChIKeyDYUUQJUNSOIIAZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.99
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide (PubChem CID 105361546) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide
PubChem CID105361546
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide
SMILESCc1cc(C#CCN)ccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-12-11-13(5-4-10-16)8-9-15(12)17-20(18,19)14-6-2-3-7-14/h8-9,11,14,17H,2-3,6-7,10,16H2,1H3
InChIKeyDYUUQJUNSOIIAZ-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.99
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-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopropanesulfonamide
CID 64554330
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-methylpropane-2-sulfonamide
CID 63687882
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361534
4-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114816502
methyl 2-[[4-(3-aminoprop-1-ynyl)-2-methylphenyl]sulfamoyl]propanoate
CID 61459272
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-2-methylbenzenesulfonamide
CID 60843963
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158740
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide (CID 105361546) is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide is Cc1cc(C#CCN)ccc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide?
The InChIKey is DYUUQJUNSOIIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-11-13(5-4-10-16)8-9-15(12)17-20(18,19)14-6-2-3-7-14/h8-9,11,14,17H,2-3,6-7,10,16H2,1H3.
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide?
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).