N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide

C11H23NO2S — CID 61384125

IUPACN-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-9(2)15(13,14)12-8-11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3
InChIKeyGYZZSPAEZLRZCD-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.14
Rot. Bonds4

About N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide

N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide (PubChem CID 61384125) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide
PubChem CID61384125
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-9(2)15(13,14)12-8-11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3
InChIKeyGYZZSPAEZLRZCD-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide (CID 61384125) is N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide is CC1CCC(CNS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide?
The InChIKey is GYZZSPAEZLRZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)15(13,14)12-8-11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide?
N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 61384125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).