4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide

C8H14N2O4S — CID 170949041

IUPAC4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=CCCC(=O)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H14N2O4S/c11-7-3-4-8(12)9-15(13,14)10-5-1-2-6-10/h7H,1-6H2,(H,9,12)
InChIKeyOWYJEHONJIRHJS-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.58
Rot. Bonds5

About 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide

4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 170949041) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound Name4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID170949041
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=CCCC(=O)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H14N2O4S/c11-7-3-4-8(12)9-15(13,14)10-5-1-2-6-10/h7H,1-6H2,(H,9,12)
InChIKeyOWYJEHONJIRHJS-UHFFFAOYSA-N
XLogP-0.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide
CID 75419936
N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 60562502
N-piperidin-1-ylsulfonylacetamide
CID 59405916
(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
CID 94201534
1-prop-2-enyl-N-pyrrolidin-1-ylsulfonylcyclobutane-1-carboxamide
CID 146090508
N-[(E)-pent-3-enyl]azepane-1-sulfonamide
CID 115628649
2-(azepan-1-ylsulfonylamino)acetamide
CID 60713634
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
4-oxo-N-propan-2-ylbutanamide
CID 87543114
N-ethylazepane-1-sulfonamide
CID 43213421

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide (CID 170949041) is 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide is O=CCCC(=O)NS(=O)(=O)N1CCCC1.
What is the InChIKey of 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is OWYJEHONJIRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c11-7-3-4-8(12)9-15(13,14)10-5-1-2-6-10/h7H,1-6H2,(H,9,12).
What are the key properties of 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide?
4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 234.28 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 170949041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).