N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide

C11H22N2O3S — CID 113136050

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-10(2)13(17(3,15)16)9-6-11(14)12-7-4-5-8-12/h10H,4-9H2,1-3H3
InChIKeyOOYUWHFRRXHXIE-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.67
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 113136050) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide
PubChem CID113136050
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-10(2)13(17(3,15)16)9-6-11(14)12-7-4-5-8-12/h10H,4-9H2,1-3H3
InChIKeyOOYUWHFRRXHXIE-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide (CID 113136050) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is OOYUWHFRRXHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(2)13(17(3,15)16)9-6-11(14)12-7-4-5-8-12/h10H,4-9H2,1-3H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 113136050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).