N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide

C11H24N2O2S — CID 61384303

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-8-16(14,15)12-9-11(2)10-13-6-4-5-7-13/h11-12H,3-10H2,1-2H3
InChIKeyYXRHOKAIFOWGMH-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds7

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide (PubChem CID 61384303) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
PubChem CID61384303
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-8-16(14,15)12-9-11(2)10-13-6-4-5-7-13/h11-12H,3-10H2,1-2H3
InChIKeyYXRHOKAIFOWGMH-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
N-(4-methyl-2-pyrrolidin-1-ylpentyl)propane-1-sulfonamide
CID 110403539
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide (CID 61384303) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The InChIKey is YXRHOKAIFOWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-8-16(14,15)12-9-11(2)10-13-6-4-5-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 61384303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).