N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide

C10H22N2O2S — CID 60650117

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCCN1CC
InChIInChI=1S/C10H22N2O2S/c1-3-8-15(13,14)11-9-10-6-5-7-12(10)4-2/h10-11H,3-9H2,1-2H3
InChIKeyBCXHFYMIPPUZJO-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 60650117) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
PubChem CID60650117
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCCN1CC
InChIInChI=1S/C10H22N2O2S/c1-3-8-15(13,14)11-9-10-6-5-7-12(10)4-2/h10-11H,3-9H2,1-2H3
InChIKeyBCXHFYMIPPUZJO-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide (CID 60650117) is N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is BCXHFYMIPPUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-8-15(13,14)11-9-10-6-5-7-12(10)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 60650117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).