N-(4-methylcyclohexyl)propane-1-sulfonamide

C10H21NO2S — CID 60648802

IUPACN-(4-methylcyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C10H21NO2S/c1-3-8-14(12,13)11-10-6-4-9(2)5-7-10/h9-11H,3-8H2,1-2H3
InChIKeySKPCENXPLDANIZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.89
Rot. Bonds4

About N-(4-methylcyclohexyl)propane-1-sulfonamide

N-(4-methylcyclohexyl)propane-1-sulfonamide (PubChem CID 60648802) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)propane-1-sulfonamide
PubChem CID60648802
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(4-methylcyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C10H21NO2S/c1-3-8-14(12,13)11-10-6-4-9(2)5-7-10/h9-11H,3-8H2,1-2H3
InChIKeySKPCENXPLDANIZ-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)propane-1-sulfonamide (CID 60648802) is N-(4-methylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)propane-1-sulfonamide?
The InChIKey is SKPCENXPLDANIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-8-14(12,13)11-10-6-4-9(2)5-7-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(4-methylcyclohexyl)propane-1-sulfonamide?
N-(4-methylcyclohexyl)propane-1-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 60648802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).