(4-methylsulfonyl-3-pyridinyl)methanamine

C7H10N2O2S — CID 129011162

IUPAC(4-methylsulfonyl-3-pyridinyl)methanamine
SMILESCS(=O)(=O)c1ccncc1CN
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)7-2-3-9-5-6(7)4-8/h2-3,5H,4,8H2,1H3
InChIKeyHVCUEXPDTHTOMR-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.06
Rot. Bonds2

About (4-methylsulfonyl-3-pyridinyl)methanamine

(4-methylsulfonyl-3-pyridinyl)methanamine (PubChem CID 129011162) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (4-methylsulfonyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-methylsulfonyl-3-pyridinyl)methanamine
PubChem CID129011162
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(4-methylsulfonyl-3-pyridinyl)methanamine
SMILESCS(=O)(=O)c1ccncc1CN
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)7-2-3-9-5-6(7)4-8/h2-3,5H,4,8H2,1H3
InChIKeyHVCUEXPDTHTOMR-UHFFFAOYSA-N
XLogP-0.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonyl-3-pyridinyl)methanamine?
The IUPAC name of (4-methylsulfonyl-3-pyridinyl)methanamine (CID 129011162) is (4-methylsulfonyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-methylsulfonyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-methylsulfonyl-3-pyridinyl)methanamine is CS(=O)(=O)c1ccncc1CN.
What is the InChIKey of (4-methylsulfonyl-3-pyridinyl)methanamine?
The InChIKey is HVCUEXPDTHTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)7-2-3-9-5-6(7)4-8/h2-3,5H,4,8H2,1H3.
What are the key properties of (4-methylsulfonyl-3-pyridinyl)methanamine?
(4-methylsulfonyl-3-pyridinyl)methanamine has a molecular weight of 186.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyl-3-pyridinyl)methanamine is sourced from PubChem (CID 129011162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).