N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide

C12H25NO3S — CID 61448118

IUPACN-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-3-9-13(10-11-14)17(15,16)12-7-5-4-6-8-12/h12,14H,2-11H2,1H3
InChIKeyGDCJWUSZENDATN-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.74
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide

N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide (PubChem CID 61448118) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide
PubChem CID61448118
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-3-9-13(10-11-14)17(15,16)12-7-5-4-6-8-12/h12,14H,2-11H2,1H3
InChIKeyGDCJWUSZENDATN-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide (CID 61448118) is N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide is CCCCN(CCO)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide?
The InChIKey is GDCJWUSZENDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-3-9-13(10-11-14)17(15,16)12-7-5-4-6-8-12/h12,14H,2-11H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide?
N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)cyclohexanesulfonamide is sourced from PubChem (CID 61448118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).