N-(3-hydroxybutyl)piperidine-1-sulfonamide

C9H20N2O3S — CID 64911230

IUPACN-(3-hydroxybutyl)piperidine-1-sulfonamide
SMILESCC(O)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H20N2O3S/c1-9(12)5-6-10-15(13,14)11-7-3-2-4-8-11/h9-10,12H,2-8H2,1H3
InChIKeyVQDDDJVAFWUNGJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds5

About N-(3-hydroxybutyl)piperidine-1-sulfonamide

N-(3-hydroxybutyl)piperidine-1-sulfonamide (PubChem CID 64911230) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)piperidine-1-sulfonamide
PubChem CID64911230
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(3-hydroxybutyl)piperidine-1-sulfonamide
SMILESCC(O)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H20N2O3S/c1-9(12)5-6-10-15(13,14)11-7-3-2-4-8-11/h9-10,12H,2-8H2,1H3
InChIKeyVQDDDJVAFWUNGJ-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 64911850
(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934018
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-ethylazepane-1-sulfonamide
CID 43213421

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)piperidine-1-sulfonamide (CID 64911230) is N-(3-hydroxybutyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)piperidine-1-sulfonamide is CC(O)CCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-hydroxybutyl)piperidine-1-sulfonamide?
The InChIKey is VQDDDJVAFWUNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(12)5-6-10-15(13,14)11-7-3-2-4-8-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(3-hydroxybutyl)piperidine-1-sulfonamide?
N-(3-hydroxybutyl)piperidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 64911230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).