(1-ethylsulfinylpyrrolidin-2-yl)methanamine

C7H16N2OS — CID 130993709

IUPAC(1-ethylsulfinylpyrrolidin-2-yl)methanamine
SMILESCCS(=O)N1CCCC1CN
InChIInChI=1S/C7H16N2OS/c1-2-11(10)9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
InChIKeyMLBBNGXLNWKQNT-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.09
Rot. Bonds3

About (1-ethylsulfinylpyrrolidin-2-yl)methanamine

(1-ethylsulfinylpyrrolidin-2-yl)methanamine (PubChem CID 130993709) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is (1-ethylsulfinylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethylsulfinylpyrrolidin-2-yl)methanamine
PubChem CID130993709
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name(1-ethylsulfinylpyrrolidin-2-yl)methanamine
SMILESCCS(=O)N1CCCC1CN
InChIInChI=1S/C7H16N2OS/c1-2-11(10)9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
InChIKeyMLBBNGXLNWKQNT-UHFFFAOYSA-N
XLogP0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-ethylsulfinylpyrrolidin-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

Related Compounds

CID 71757008
CID 71757008
CID 43602878
CID 43602878
CID 61546212
CID 61546212
CID 129982016
CID 129982016
CID 70758179
CID 70758179
CID 21090429
CID 21090429
CID 28707009
CID 28707009
CID 59475888
CID 59475888
CID 59475898
CID 59475898
CID 59651724
CID 59651724
CID 60974514
CID 60974514
CID 62067215
CID 62067215

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfinylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-ethylsulfinylpyrrolidin-2-yl)methanamine (CID 130993709) is (1-ethylsulfinylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-ethylsulfinylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-ethylsulfinylpyrrolidin-2-yl)methanamine is CCS(=O)N1CCCC1CN.
What is the InChIKey of (1-ethylsulfinylpyrrolidin-2-yl)methanamine?
The InChIKey is MLBBNGXLNWKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-2-11(10)9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3.
What are the key properties of (1-ethylsulfinylpyrrolidin-2-yl)methanamine?
(1-ethylsulfinylpyrrolidin-2-yl)methanamine has a molecular weight of 176.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfinylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 130993709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).