2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol

C9H19NOS — CID 129042476

IUPAC2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol
SMILESCC(C)C1CCC(S)NC1(C)O
InChIInChI=1S/C9H19NOS/c1-6(2)7-4-5-8(12)10-9(7,3)11/h6-8,10-12H,4-5H2,1-3H3
InChIKeyZJUWSBGHNHOHMI-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.61
Rot. Bonds1

About 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol

2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol (PubChem CID 129042476) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol
PubChem CID129042476
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol
SMILESCC(C)C1CCC(S)NC1(C)O
InChIInChI=1S/C9H19NOS/c1-6(2)7-4-5-8(12)10-9(7,3)11/h6-8,10-12H,4-5H2,1-3H3
InChIKeyZJUWSBGHNHOHMI-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol?
The IUPAC name of 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol (CID 129042476) is 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol.
What is the SMILES notation for 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol?
The canonical SMILES for 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol is CC(C)C1CCC(S)NC1(C)O.
What is the InChIKey of 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol?
The InChIKey is ZJUWSBGHNHOHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-6(2)7-4-5-8(12)10-9(7,3)11/h6-8,10-12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol?
2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol is sourced from PubChem (CID 129042476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).