4-piperidin-1-ylbutane-1-sulfonamide

C9H20N2O2S — CID 123535345

IUPAC4-piperidin-1-ylbutane-1-sulfonamide
SMILESNS(=O)(=O)CCCCN1CCCCC1
InChIInChI=1S/C9H20N2O2S/c10-14(12,13)9-5-4-8-11-6-2-1-3-7-11/h1-9H2,(H2,10,12,13)
InChIKeyGUTOWUMKCNABAU-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds5

About 4-piperidin-1-ylbutane-1-sulfonamide

4-piperidin-1-ylbutane-1-sulfonamide (PubChem CID 123535345) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-piperidin-1-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-piperidin-1-ylbutane-1-sulfonamide
PubChem CID123535345
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-piperidin-1-ylbutane-1-sulfonamide
SMILESNS(=O)(=O)CCCCN1CCCCC1
InChIInChI=1S/C9H20N2O2S/c10-14(12,13)9-5-4-8-11-6-2-1-3-7-11/h1-9H2,(H2,10,12,13)
InChIKeyGUTOWUMKCNABAU-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-[5-(3-methylbutylsulfonyl)pentyl]piperidine
CID 18965255
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
3-(4,4-diethylpiperidin-1-yl)propane-1-sulfonamide
CID 112594762
1-(4-sulfosulfanylbutyl)pyrrolidine
CID 90114757
dodecane-1,12-disulfonamide
CID 57288842
lithium 1-octylazepane
CID 22743290
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbutane-1-sulfonamide?
The IUPAC name of 4-piperidin-1-ylbutane-1-sulfonamide (CID 123535345) is 4-piperidin-1-ylbutane-1-sulfonamide.
What is the SMILES notation for 4-piperidin-1-ylbutane-1-sulfonamide?
The canonical SMILES for 4-piperidin-1-ylbutane-1-sulfonamide is NS(=O)(=O)CCCCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutane-1-sulfonamide?
The InChIKey is GUTOWUMKCNABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c10-14(12,13)9-5-4-8-11-6-2-1-3-7-11/h1-9H2,(H2,10,12,13).
What are the key properties of 4-piperidin-1-ylbutane-1-sulfonamide?
4-piperidin-1-ylbutane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutane-1-sulfonamide is sourced from PubChem (CID 123535345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).