1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol

C9H17NOS — CID 155028709

IUPAC1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(SC)CC1
InChIInChI=1S/C9H17NOS/c1-3-4-9(11)5-7-10(12-2)8-6-9/h3,11H,1,4-8H2,2H3
InChIKeyKFTBHADXPRKYNT-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.67
Rot. Bonds3

About 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol

1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 155028709) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol
PubChem CID155028709
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(SC)CC1
InChIInChI=1S/C9H17NOS/c1-3-4-9(11)5-7-10(12-2)8-6-9/h3,11H,1,4-8H2,2H3
InChIKeyKFTBHADXPRKYNT-UHFFFAOYSA-N
XLogP1.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol (CID 155028709) is 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol is C=CCC1(O)CCN(SC)CC1.
What is the InChIKey of 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is KFTBHADXPRKYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-4-9(11)5-7-10(12-2)8-6-9/h3,11H,1,4-8H2,2H3.
What are the key properties of 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol?
1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 187.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 155028709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).