4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide

C9H17N3O4S — CID 139942495

IUPAC4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CCC(N)=O)C1
InChIInChI=1S/C9H17N3O4S/c1-17(15,16)11-7-4-5-12(6-7)9(14)3-2-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)
InChIKeyVFPNHLDYPCQSIH-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.60
Rot. Bonds5

About 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide

4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide (PubChem CID 139942495) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide
PubChem CID139942495
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CCC(N)=O)C1
InChIInChI=1S/C9H17N3O4S/c1-17(15,16)11-7-4-5-12(6-7)9(14)3-2-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13)
InChIKeyVFPNHLDYPCQSIH-UHFFFAOYSA-N
XLogP-1.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide (CID 139942495) is 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide is CS(=O)(=O)NC1CCN(C(=O)CCC(N)=O)C1.
What is the InChIKey of 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide?
The InChIKey is VFPNHLDYPCQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-17(15,16)11-7-4-5-12(6-7)9(14)3-2-8(10)13/h7,11H,2-6H2,1H3,(H2,10,13).
What are the key properties of 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide?
4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide has a molecular weight of 263.32 g/mol, XLogP of -1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 139942495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).