N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide

C12H25NO3S — CID 54998852

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

About N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide

N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 54998852) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID54998852
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-3-11-17(15,16)13(9-10-14)12-7-5-4-6-8-12/h12,14H,2-11H2,1H3
InChIKeyWFSKMHWWLHNYSX-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

Analyze N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
CID 164635570
Ethyl-ethylsulfonyl-(2-hydroxyethyl)-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)azanium
CID 53656952
N-(2-hydroxyethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanesulfonamide
CID 88449001
N-cyclohexyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
CID 61583167
N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 83059564
N-cyclohexyl-3-fluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 112406515
(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451
N-ethyl-N-hexyl-2-hydroxyethanesulfonamide
CID 88625854
N-ethyl-2-hydroxy-N-pentylethanesulfonamide
CID 88625959
N-(1,4-dihydroxybutan-2-yl)-N-methylcyclohexanesulfonamide
CID 89985561
N,N-dimethylcyclohexanamine;2-hydroxyethanesulfonic acid
CID 137404718
N,N-dimethylcyclohexanamine;3-hydroxypropane-1-sulfonic acid
CID 160323018

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 54998852) is N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is WFSKMHWWLHNYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-3-11-17(15,16)13(9-10-14)12-7-5-4-6-8-12/h12,14H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide 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-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 54998852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).