N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide

C11H22N2O3S — CID 22204017

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H22N2O3S/c1-2-3-10-17(15,16)12-7-5-9-13-8-4-6-11(13)14/h12H,2-10H2,1H3
InChIKeyRAPRIHHMGAPOPE-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.72
Rot. Bonds8

About N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide (PubChem CID 22204017) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide
PubChem CID22204017
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H22N2O3S/c1-2-3-10-17(15,16)12-7-5-9-13-8-4-6-11(13)14/h12H,2-10H2,1H3
InChIKeyRAPRIHHMGAPOPE-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide (CID 22204017) is N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
The InChIKey is RAPRIHHMGAPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-3-10-17(15,16)12-7-5-9-13-8-4-6-11(13)14/h12H,2-10H2,1H3.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 22204017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).