N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide

C8H14N2O3S — CID 71789257

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C8H14N2O3S/c1-14(12,13)9-6-4-8(11)10(5-6)7-2-3-7/h6-7,9H,2-5H2,1H3
InChIKeyRUMYHOUOXJDDGJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.70
Rot. Bonds3

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide (PubChem CID 71789257) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
PubChem CID71789257
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C8H14N2O3S/c1-14(12,13)9-6-4-8(11)10(5-6)7-2-3-7/h6-7,9H,2-5H2,1H3
InChIKeyRUMYHOUOXJDDGJ-UHFFFAOYSA-N
XLogP-0.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide (CID 71789257) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide is CS(=O)(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is RUMYHOUOXJDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-14(12,13)9-6-4-8(11)10(5-6)7-2-3-7/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 71789257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).