2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide

C9H20N2O2S — CID 104826091

IUPAC2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide
SMILESCC1CNCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O2S/c1-7-5-10-6-8(7)11-14(12,13)9(2,3)4/h7-8,10-11H,5-6H2,1-4H3
InChIKeyKWDDZOONXGYAGK-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.31
Rot. Bonds2

About 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide

2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide (PubChem CID 104826091) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide
PubChem CID104826091
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide
SMILESCC1CNCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O2S/c1-7-5-10-6-8(7)11-14(12,13)9(2,3)4/h7-8,10-11H,5-6H2,1-4H3
InChIKeyKWDDZOONXGYAGK-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
CID 104826070
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 104826101
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826074
2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide
CID 11564774
N-(4-methylpyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104826100
4-methyl-3-(sulfamoylamino)piperidine
CID 114959095
(3R,4R)-N-cyclopropyl-4-methylpyrrolidin-3-amine
CID 68976248
2-methyl-N-(2-oxopiperidin-4-yl)propane-2-sulfonamide
CID 167069682
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide (CID 104826091) is 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide is CC1CNCC1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The InChIKey is KWDDZOONXGYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7-5-10-6-8(7)11-14(12,13)9(2,3)4/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide?
2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpyrrolidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 104826091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).