N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide

C14H22N2O2S — CID 63765049

IUPACN-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN)C2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-6-8-14(9-7-12)19(17,18)16(11-10-15)13-4-2-3-5-13/h6-9,13H,2-5,10-11,15H2,1H3
InChIKeyDVQHZWDZBATEQP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide

N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide (PubChem CID 63765049) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
PubChem CID63765049
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN)C2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-6-8-14(9-7-12)19(17,18)16(11-10-15)13-4-2-3-5-13/h6-9,13H,2-5,10-11,15H2,1H3
InChIKeyDVQHZWDZBATEQP-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 155937368
N-cycloheptyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775957
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-[2-(dimethylamino)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607179
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide (CID 63765049) is N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCN)C2CCCC2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide?
The InChIKey is DVQHZWDZBATEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-6-8-14(9-7-12)19(17,18)16(11-10-15)13-4-2-3-5-13/h6-9,13H,2-5,10-11,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide?
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 63765049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).