[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine

C10H16N2O3S2 — CID 81328495

IUPAC[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine
SMILESCS(=O)(=O)CCS(=O)Cc1ccnc(CN)c1
InChIInChI=1S/C10H16N2O3S2/c1-17(14,15)5-4-16(13)8-9-2-3-12-10(6-9)7-11/h2-3,6H,4-5,7-8,11H2,1H3
InChIKeyQJTCFDFRLAAQIQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP-0.17
Rot. Bonds6

About [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine

[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine (PubChem CID 81328495) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine
PubChem CID81328495
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine
SMILESCS(=O)(=O)CCS(=O)Cc1ccnc(CN)c1
InChIInChI=1S/C10H16N2O3S2/c1-17(14,15)5-4-16(13)8-9-2-3-12-10(6-9)7-11/h2-3,6H,4-5,7-8,11H2,1H3
InChIKeyQJTCFDFRLAAQIQ-UHFFFAOYSA-N
XLogP-0.17
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]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 [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine (CID 81328495) is [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine is CS(=O)(=O)CCS(=O)Cc1ccnc(CN)c1.
What is the InChIKey of [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine?
The InChIKey is QJTCFDFRLAAQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-17(14,15)5-4-16(13)8-9-2-3-12-10(6-9)7-11/h2-3,6H,4-5,7-8,11H2,1H3.
What are the key properties of [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine?
[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine has a molecular weight of 276.38 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 81328495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).