3-hydroxy-N-octan-4-ylpropane-1-sulfonamide

C11H25NO3S — CID 106022437

IUPAC3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)CCCO
InChIInChI=1S/C11H25NO3S/c1-3-5-8-11(7-4-2)12-16(14,15)10-6-9-13/h11-13H,3-10H2,1-2H3
InChIKeyZLTGOCBNEVRYCH-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.65
Rot. Bonds10

About 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide

3-hydroxy-N-octan-4-ylpropane-1-sulfonamide (PubChem CID 106022437) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
PubChem CID106022437
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)CCCO
InChIInChI=1S/C11H25NO3S/c1-3-5-8-11(7-4-2)12-16(14,15)10-6-9-13/h11-13H,3-10H2,1-2H3
InChIKeyZLTGOCBNEVRYCH-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
CID 64982777
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
4-chloro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
CID 116816566
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
2-(decylsulfonylamino)octyl 2-hydroxyethyl hydrogen phosphate
CID 11754617
3-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83068407

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide (CID 106022437) is 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide is CCCCC(CCC)NS(=O)(=O)CCCO.
What is the InChIKey of 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide?
The InChIKey is ZLTGOCBNEVRYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-3-5-8-11(7-4-2)12-16(14,15)10-6-9-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide?
3-hydroxy-N-octan-4-ylpropane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-octan-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 106022437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).