N-(2-oxopropyl)cyclohexanesulfonamide

C9H17NO3S — CID 64994168

IUPACN-(2-oxopropyl)cyclohexanesulfonamide
SMILESCC(=O)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H17NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3
InChIKeyKJUIHOHECSALEX-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.83
Rot. Bonds4

About N-(2-oxopropyl)cyclohexanesulfonamide

N-(2-oxopropyl)cyclohexanesulfonamide (PubChem CID 64994168) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2-oxopropyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-oxopropyl)cyclohexanesulfonamide
PubChem CID64994168
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(2-oxopropyl)cyclohexanesulfonamide
SMILESCC(=O)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H17NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3
InChIKeyKJUIHOHECSALEX-UHFFFAOYSA-N
XLogP0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-oxopropyl)cyclohexanesulfonamide (CID 64994168) is N-(2-oxopropyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-oxopropyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-oxopropyl)cyclohexanesulfonamide is CC(=O)CNS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-oxopropyl)cyclohexanesulfonamide?
The InChIKey is KJUIHOHECSALEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3.
What are the key properties of N-(2-oxopropyl)cyclohexanesulfonamide?
N-(2-oxopropyl)cyclohexanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)cyclohexanesulfonamide is sourced from PubChem (CID 64994168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).