N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide

C11H23NO2S — CID 134966480

IUPACN-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
SMILESCC[C@H]1CCC(NS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-5-9-6-7-10(8-9)12-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyPUFCVTRWOJAKSV-RGURZIINSA-N
MW233.38 g/mol
LogP2.28
Rot. Bonds3

About N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide

N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide (PubChem CID 134966480) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
PubChem CID134966480
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
SMILESCC[C@H]1CCC(NS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NO2S/c1-5-9-6-7-10(8-9)12-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyPUFCVTRWOJAKSV-RGURZIINSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide (CID 134966480) is N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide is CC[C@H]1CCC(NS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is PUFCVTRWOJAKSV-RGURZIINSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-9-6-7-10(8-9)12-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide?
N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134966480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).