N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine

C10H14N2O2S — CID 43675328

IUPACN-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCC2CC2)cn1
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)10-5-4-9(7-12-10)11-6-8-2-3-8/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyVKHJLQDDHPXJSB-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.31
Rot. Bonds4

About N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine

N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine (PubChem CID 43675328) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
PubChem CID43675328
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCC2CC2)cn1
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)10-5-4-9(7-12-10)11-6-8-2-3-8/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyVKHJLQDDHPXJSB-UHFFFAOYSA-N
XLogP1.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine (CID 43675328) is N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine?
The InChIKey is VKHJLQDDHPXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15(13,14)10-5-4-9(7-12-10)11-6-8-2-3-8/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine?
N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine has a molecular weight of 226.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 43675328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).