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

C10H22N2O2S — CID 167344205

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCCN1C
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)11-7-6-10-5-4-8-12(10)3/h9-11H,4-8H2,1-3H3
InChIKeyXELJQZBLYPVCPF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds5

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

N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide (PubChem CID 167344205) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide
PubChem CID167344205
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCCN1C
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)11-7-6-10-5-4-8-12(10)3/h9-11H,4-8H2,1-3H3
InChIKeyXELJQZBLYPVCPF-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
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)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide (CID 167344205) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC1CCCN1C.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide?
The InChIKey is XELJQZBLYPVCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)15(13,14)11-7-6-10-5-4-8-12(10)3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 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)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 167344205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).