1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine

C10H14N4O2S — CID 79296529

IUPAC1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine
SMILESCS(=O)(=O)CCCn1c(N)nc2cnccc21
InChIInChI=1S/C10H14N4O2S/c1-17(15,16)6-2-5-14-9-3-4-12-7-8(9)13-10(14)11/h3-4,7H,2,5-6H2,1H3,(H2,11,13)
InChIKeyKYLDSDLIIXWPGT-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.45
Rot. Bonds4

About 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine

1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 79296529) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine
PubChem CID79296529
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine
SMILESCS(=O)(=O)CCCn1c(N)nc2cnccc21
InChIInChI=1S/C10H14N4O2S/c1-17(15,16)6-2-5-14-9-3-4-12-7-8(9)13-10(14)11/h3-4,7H,2,5-6H2,1H3,(H2,11,13)
InChIKeyKYLDSDLIIXWPGT-UHFFFAOYSA-N
XLogP0.45
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine (CID 79296529) is 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine is CS(=O)(=O)CCCn1c(N)nc2cnccc21.
What is the InChIKey of 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is KYLDSDLIIXWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-17(15,16)6-2-5-14-9-3-4-12-7-8(9)13-10(14)11/h3-4,7H,2,5-6H2,1H3,(H2,11,13).
What are the key properties of 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine?
1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 79296529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).