N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

C12H24N2O4S — CID 113137802

IUPACN-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-18-11-5-9-14(19(2,16)17)10-6-12(15)13-7-3-4-8-13/h3-11H2,1-2H3
InChIKeySBBHHKMZPUOSHB-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.30
Rot. Bonds8

About N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 113137802) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID113137802
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-18-11-5-9-14(19(2,16)17)10-6-12(15)13-7-3-4-8-13/h3-11H2,1-2H3
InChIKeySBBHHKMZPUOSHB-UHFFFAOYSA-N
XLogP0.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methanesulfonic acid 3-(2-oxo-pyrrolidin-1-yl)-propyl ester
CID 86648322
1-[4-(2-Methoxyethylsulfonyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110617986
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylmethanesulfonamide
CID 113135854
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propan-2-ylmethanesulfonamide
CID 113136050
N-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113136642
N-(2-methylpropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113136817
N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137006
N-(2-methoxyethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137629
N,N-diethyl-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137685
N-butyl-3-[2-methoxyethyl(methylsulfonyl)amino]-N-methylpropanamide
CID 113137690
N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137804
N,N-diethyl-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137839

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 113137802) is N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is COCCCN(CCC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is SBBHHKMZPUOSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-18-11-5-9-14(19(2,16)17)10-6-12(15)13-7-3-4-8-13/h3-11H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113137802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).