N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide

C16H26N2O2S — CID 154739109

IUPACN-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCC1CC(C)(C)CC1NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-13-11-16(2,3)12-15(13)17-9-10-18-21(19,20)14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3
InChIKeyUFNQCUWUMZIPBZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.38
Rot. Bonds6

About N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide

N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide (PubChem CID 154739109) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
PubChem CID154739109
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
SMILESCC1CC(C)(C)CC1NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-13-11-16(2,3)12-15(13)17-9-10-18-21(19,20)14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3
InChIKeyUFNQCUWUMZIPBZ-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide
CID 97230865
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide (CID 154739109) is N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide is CC1CC(C)(C)CC1NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
The InChIKey is UFNQCUWUMZIPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-11-16(2,3)12-15(13)17-9-10-18-21(19,20)14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3.
What are the key properties of N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide?
N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 154739109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).