N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide

C13H28N2O2S — CID 99838091

IUPACN-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCN[C@@H]1CC(C)(C)C[C@@H]1C
InChIInChI=1S/C13H28N2O2S/c1-10(2)15-18(16,17)7-6-14-12-9-13(4,5)8-11(12)3/h10-12,14-15H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyUJNUMLWWYNECJS-NWDGAFQWSA-N
MW276.45 g/mol
LogP1.73
Rot. Bonds6

About N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide

N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide (PubChem CID 99838091) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
PubChem CID99838091
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCN[C@@H]1CC(C)(C)C[C@@H]1C
InChIInChI=1S/C13H28N2O2S/c1-10(2)15-18(16,17)7-6-14-12-9-13(4,5)8-11(12)3/h10-12,14-15H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyUJNUMLWWYNECJS-NWDGAFQWSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662856
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
CID 106662803
N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 154739109
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
N-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]propane-1-sulfonamide
CID 86799939
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide?
The IUPAC name of N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide (CID 99838091) is N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide.
What is the SMILES notation for N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide?
The canonical SMILES for N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide is CC(C)NS(=O)(=O)CCN[C@@H]1CC(C)(C)C[C@@H]1C.
What is the InChIKey of N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide?
The InChIKey is UJNUMLWWYNECJS-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-10(2)15-18(16,17)7-6-14-12-9-13(4,5)8-11(12)3/h10-12,14-15H,6-9H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide?
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide is sourced from PubChem (CID 99838091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).