N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide

C8H15NO2S — CID 168819151

IUPACN-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C8H15NO2S/c1-3-12(10,11)9-8-5-4-7(2)6-8/h3,7-9H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyKKOCANYLAIWZBQ-JGVFFNPUSA-N
MW189.28 g/mol
LogP1.24
Rot. Bonds3

About N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide

N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide (PubChem CID 168819151) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide
PubChem CID168819151
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C8H15NO2S/c1-3-12(10,11)9-8-5-4-7(2)6-8/h3,7-9H,1,4-6H2,2H3/t7-,8+/m0/s1
InChIKeyKKOCANYLAIWZBQ-JGVFFNPUSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide?
The IUPAC name of N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide (CID 168819151) is N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide.
What is the SMILES notation for N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide?
The canonical SMILES for N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide is C=CS(=O)(=O)N[C@@H]1CC[C@H](C)C1.
What is the InChIKey of N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide?
The InChIKey is KKOCANYLAIWZBQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-12(10,11)9-8-5-4-7(2)6-8/h3,7-9H,1,4-6H2,2H3/t7-,8+/m0/s1.
What are the key properties of N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide?
N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methylcyclopentyl]ethenesulfonamide is sourced from PubChem (CID 168819151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).