N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide

C16H26N2O4S2 — CID 131929134

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1
InChIInChI=1S/C16H26N2O4S2/c1-17(14-6-4-5-7-14)12-13-18(2)24(21,22)16-10-8-15(9-11-16)23(3,19)20/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyAJGYPRWMGHWEHM-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.59
Rot. Bonds7

About N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide (PubChem CID 131929134) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
PubChem CID131929134
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
SMILESCN(CCN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1
InChIInChI=1S/C16H26N2O4S2/c1-17(14-6-4-5-7-14)12-13-18(2)24(21,22)16-10-8-15(9-11-16)23(3,19)20/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyAJGYPRWMGHWEHM-UHFFFAOYSA-N
XLogP1.59
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylaniline
CID 63388693
N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62980103
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43244916
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
CID 60840698
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide (CID 131929134) is N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide is CN(CCN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The InChIKey is AJGYPRWMGHWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-17(14-6-4-5-7-14)12-13-18(2)24(21,22)16-10-8-15(9-11-16)23(3,19)20/h8-11,14H,4-7,12-13H2,1-3H3.
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 131929134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).