3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide

C16H26N2O2S — CID 64916220

IUPAC3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cccc(C(C)N)c2)C1C
InChIInChI=1S/C16H26N2O2S/c1-4-13-8-9-16(11(13)2)18-21(19,20)15-7-5-6-14(10-15)12(3)17/h5-7,10-13,16,18H,4,8-9,17H2,1-3H3
InChIKeyBVWAMDSHXSJVSR-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.81
Rot. Bonds5

About 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide

3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide (PubChem CID 64916220) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
PubChem CID64916220
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cccc(C(C)N)c2)C1C
InChIInChI=1S/C16H26N2O2S/c1-4-13-8-9-16(11(13)2)18-21(19,20)15-7-5-6-14(10-15)12(3)17/h5-7,10-13,16,18H,4,8-9,17H2,1-3H3
InChIKeyBVWAMDSHXSJVSR-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 64922458
4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 55190032
2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64921363
3-(1-aminoethyl)-N-octylbenzenesulfonamide
CID 115569030
1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 83220488

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide (CID 64916220) is 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cccc(C(C)N)c2)C1C.
What is the InChIKey of 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is BVWAMDSHXSJVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-13-8-9-16(11(13)2)18-21(19,20)15-7-5-6-14(10-15)12(3)17/h5-7,10-13,16,18H,4,8-9,17H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 64916220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).