1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

C8H15ClN2O3S — CID 63666144

IUPAC1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)CCl
InChIInChI=1S/C8H15ClN2O3S/c9-7-15(13,14)10-4-2-6-11-5-1-3-8(11)12/h10H,1-7H2
InChIKeyLFVSLCCVHSWRHX-UHFFFAOYSA-N
MW254.74 g/mol
LogP0.11
Rot. Bonds6

About 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide

1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 63666144) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID63666144
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC Name1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)CCl
InChIInChI=1S/C8H15ClN2O3S/c9-7-15(13,14)10-4-2-6-11-5-1-3-8(11)12/h10H,1-7H2
InChIKeyLFVSLCCVHSWRHX-UHFFFAOYSA-N
XLogP0.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (CID 63666144) is 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is O=C1CCCN1CCCNS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is LFVSLCCVHSWRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O3S/c9-7-15(13,14)10-4-2-6-11-5-1-3-8(11)12/h10H,1-7H2.
What are the key properties of 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 254.74 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 63666144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).