N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide

C11H24N2O2S — CID 54244115

IUPACN-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCCN1C
InChIInChI=1S/C11H24N2O2S/c1-9(2)16(14,15)12-8-10(3)11-6-5-7-13(11)4/h9-12H,5-8H2,1-4H3
InChIKeyQSANDWUSPODXGN-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide

N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide (PubChem CID 54244115) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide
PubChem CID54244115
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCCN1C
InChIInChI=1S/C11H24N2O2S/c1-9(2)16(14,15)12-8-10(3)11-6-5-7-13(11)4/h9-12H,5-8H2,1-4H3
InChIKeyQSANDWUSPODXGN-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide (CID 54244115) is N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCCN1C.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide?
The InChIKey is QSANDWUSPODXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)16(14,15)12-8-10(3)11-6-5-7-13(11)4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide?
N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 54244115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).