(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine

C8H18N2O2S — CID 63766975

IUPAC(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine
SMILESCC(C)S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6,9H2,1-2H3
InChIKeyOKOLJXFIGYBISB-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds3

About (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine

(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine (PubChem CID 63766975) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine
PubChem CID63766975
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine
SMILESCC(C)S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6,9H2,1-2H3
InChIKeyOKOLJXFIGYBISB-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine (CID 63766975) is (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine is CC(C)S(=O)(=O)N1CCCC1CN.
What is the InChIKey of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine?
The InChIKey is OKOLJXFIGYBISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)13(11,12)10-5-3-4-8(10)6-9/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine?
(1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 63766975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).