N-(2-methylcyclohexyl)butane-1-sulfonamide

C11H23NO2S — CID 6467247

IUPACN-(2-methylcyclohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C11H23NO2S/c1-3-4-9-15(13,14)12-11-8-6-5-7-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyYDPGKKSSJWPHCV-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.28
Rot. Bonds5

About N-(2-methylcyclohexyl)butane-1-sulfonamide

N-(2-methylcyclohexyl)butane-1-sulfonamide (PubChem CID 6467247) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)butane-1-sulfonamide
PubChem CID6467247
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-methylcyclohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C11H23NO2S/c1-3-4-9-15(13,14)12-11-8-6-5-7-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyYDPGKKSSJWPHCV-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(2-methylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of N-(2-methylcyclohexyl)butane-1-sulfonamide (CID 6467247) is N-(2-methylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-methylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-methylcyclohexyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)butane-1-sulfonamide?
The InChIKey is YDPGKKSSJWPHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-4-9-15(13,14)12-11-8-6-5-7-10(11)2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-methylcyclohexyl)butane-1-sulfonamide?
N-(2-methylcyclohexyl)butane-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 6467247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).