N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide

C11H22N2O3S — CID 114815362

IUPACN-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
SMILESCC(=O)CC1CCCN1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H22N2O3S/c1-9(2)8-12-17(15,16)13-6-4-5-11(13)7-10(3)14/h9,11-12H,4-8H2,1-3H3
InChIKeyCCRQQMUNEVTTAV-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.92
Rot. Bonds6

About N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide

N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide (PubChem CID 114815362) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
PubChem CID114815362
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
SMILESCC(=O)CC1CCCN1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H22N2O3S/c1-9(2)8-12-17(15,16)13-6-4-5-11(13)7-10(3)14/h9,11-12H,4-8H2,1-3H3
InChIKeyCCRQQMUNEVTTAV-UHFFFAOYSA-N
XLogP0.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114815335
1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546790
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
CID 114805816
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79546798
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
1-(1-tert-butylsulfonylpiperidin-2-yl)propan-2-one
CID 79549113
1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546130

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide (CID 114815362) is N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide is CC(=O)CC1CCCN1S(=O)(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide?
The InChIKey is CCRQQMUNEVTTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)8-12-17(15,16)13-6-4-5-11(13)7-10(3)14/h9,11-12H,4-8H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide?
N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114815362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).