(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol

C10H15NOS — CID 83128388

IUPAC(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
SMILESCCCSc1ccc([C@H](C)O)nc1
InChIInChI=1S/C10H15NOS/c1-3-6-13-9-4-5-10(8(2)12)11-7-9/h4-5,7-8,12H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyMOGCQGNACNONTD-QMMMGPOBSA-N
MW197.30 g/mol
LogP2.64
Rot. Bonds4

About (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol

(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol (PubChem CID 83128388) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
PubChem CID83128388
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
SMILESCCCSc1ccc([C@H](C)O)nc1
InChIInChI=1S/C10H15NOS/c1-3-6-13-9-4-5-10(8(2)12)11-7-9/h4-5,7-8,12H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyMOGCQGNACNONTD-QMMMGPOBSA-N
XLogP2.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol (CID 83128388) is (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol is CCCSc1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol?
The InChIKey is MOGCQGNACNONTD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-6-13-9-4-5-10(8(2)12)11-7-9/h4-5,7-8,12H,3,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol?
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol has a molecular weight of 197.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol is sourced from PubChem (CID 83128388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).