N-(2-oxopiperidin-3-yl)butane-1-sulfonamide

C9H18N2O3S — CID 49457012

IUPACN-(2-oxopiperidin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C9H18N2O3S/c1-2-3-7-15(13,14)11-8-5-4-6-10-9(8)12/h8,11H,2-7H2,1H3,(H,10,12)
InChIKeyPPLLMPSDDGMYCP-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.02
Rot. Bonds5

About N-(2-oxopiperidin-3-yl)butane-1-sulfonamide

N-(2-oxopiperidin-3-yl)butane-1-sulfonamide (PubChem CID 49457012) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)butane-1-sulfonamide
PubChem CID49457012
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-oxopiperidin-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C9H18N2O3S/c1-2-3-7-15(13,14)11-8-5-4-6-10-9(8)12/h8,11H,2-7H2,1H3,(H,10,12)
InChIKeyPPLLMPSDDGMYCP-UHFFFAOYSA-N
XLogP-0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)butane-1-sulfonamide (CID 49457012) is N-(2-oxopiperidin-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)butane-1-sulfonamide?
The InChIKey is PPLLMPSDDGMYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-3-7-15(13,14)11-8-5-4-6-10-9(8)12/h8,11H,2-7H2,1H3,(H,10,12).
What are the key properties of N-(2-oxopiperidin-3-yl)butane-1-sulfonamide?
N-(2-oxopiperidin-3-yl)butane-1-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 49457012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).