3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine

C8H18N2O2S — CID 60974514

IUPAC3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine
SMILESCC1CCCN1S(=O)(=O)CCCN
InChIInChI=1S/C8H18N2O2S/c1-8-4-2-6-10(8)13(11,12)7-3-5-9/h8H,2-7,9H2,1H3
InChIKeyQTQCXYVOUWISSV-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds4

About 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine

3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine (PubChem CID 60974514) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine
PubChem CID60974514
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine
SMILESCC1CCCN1S(=O)(=O)CCCN
InChIInChI=1S/C8H18N2O2S/c1-8-4-2-6-10(8)13(11,12)7-3-5-9/h8H,2-7,9H2,1H3
InChIKeyQTQCXYVOUWISSV-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine (CID 60974514) is 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine is CC1CCCN1S(=O)(=O)CCCN.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine?
The InChIKey is QTQCXYVOUWISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8-4-2-6-10(8)13(11,12)7-3-5-9/h8H,2-7,9H2,1H3.
What are the key properties of 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine?
3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 60974514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).