N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide

C13H27NO3S — CID 54947629

IUPACN-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-2-3-9-14(10-11-15)18(16,17)12-13-7-5-4-6-8-13/h13,15H,2-12H2,1H3
InChIKeyJUZOMWJHSKNZQK-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.99
Rot. Bonds8

About N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide

N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 54947629) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID54947629
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-2-3-9-14(10-11-15)18(16,17)12-13-7-5-4-6-8-13/h13,15H,2-12H2,1H3
InChIKeyJUZOMWJHSKNZQK-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide (CID 54947629) is N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide is CCCCN(CCO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is JUZOMWJHSKNZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-2-3-9-14(10-11-15)18(16,17)12-13-7-5-4-6-8-13/h13,15H,2-12H2,1H3.
What are the key properties of N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide?
N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 54947629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).