(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol

C10H15NOS — CID 80651280

IUPAC(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
SMILESCc1cc(CO)cnc1SC(C)C
InChIInChI=1S/C10H15NOS/c1-7(2)13-10-8(3)4-9(6-12)5-11-10/h4-5,7,12H,6H2,1-3H3
InChIKeyWZXDZBOQXCBAQL-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.38
Rot. Bonds3

About (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol

(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol (PubChem CID 80651280) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
PubChem CID80651280
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
SMILESCc1cc(CO)cnc1SC(C)C
InChIInChI=1S/C10H15NOS/c1-7(2)13-10-8(3)4-9(6-12)5-11-10/h4-5,7,12H,6H2,1-3H3
InChIKeyWZXDZBOQXCBAQL-UHFFFAOYSA-N
XLogP2.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol?
The IUPAC name of (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol (CID 80651280) is (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol.
What is the SMILES notation for (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol?
The canonical SMILES for (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol is Cc1cc(CO)cnc1SC(C)C.
What is the InChIKey of (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol?
The InChIKey is WZXDZBOQXCBAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)13-10-8(3)4-9(6-12)5-11-10/h4-5,7,12H,6H2,1-3H3.
What are the key properties of (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol?
(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol has a molecular weight of 197.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol is sourced from PubChem (CID 80651280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).