N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine

C16H26N2O2S — CID 110627929

IUPACN-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine
SMILESCc1ccc(CCCCNS(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14-9-11-15(12-10-14)6-4-5-13-17-21(19,20)18-16-7-2-3-8-16/h9-12,16-18H,2-8,13H2,1H3
InChIKeyRDKSYVAXNCWPGI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.68
Rot. Bonds8

About N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine

N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine (PubChem CID 110627929) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine
PubChem CID110627929
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine
SMILESCc1ccc(CCCCNS(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14-9-11-15(12-10-14)6-4-5-13-17-21(19,20)18-16-7-2-3-8-16/h9-12,16-18H,2-8,13H2,1H3
InChIKeyRDKSYVAXNCWPGI-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
CID 110627926
N-[2-(4-methoxyphenyl)ethylsulfamoyl]cyclohexanamine
CID 110675836
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710
4-(4-methylphenyl)butyl N-cyclohexylcarbamate
CID 90359705
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
CID 110633806
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110345821
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
5-(cyclopropylsulfamoylamino)pentan-1-ol
CID 107319496
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine?
The IUPAC name of N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine (CID 110627929) is N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine.
What is the SMILES notation for N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine?
The canonical SMILES for N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine is Cc1ccc(CCCCNS(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine?
The InChIKey is RDKSYVAXNCWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-14-9-11-15(12-10-14)6-4-5-13-17-21(19,20)18-16-7-2-3-8-16/h9-12,16-18H,2-8,13H2,1H3.
What are the key properties of N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine?
N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine has a molecular weight of 310.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine is sourced from PubChem (CID 110627929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).