1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol

C10H21NOS — CID 70796513

IUPAC1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol
SMILESCC(O)SC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21NOS/c1-8(2)11-6-4-10(5-7-11)13-9(3)12/h8-10,12H,4-7H2,1-3H3
InChIKeyIYJFUHXGJFMOOG-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.93
Rot. Bonds3

About 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol

1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol (PubChem CID 70796513) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol
PubChem CID70796513
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol
SMILESCC(O)SC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21NOS/c1-8(2)11-6-4-10(5-7-11)13-9(3)12/h8-10,12H,4-7H2,1-3H3
InChIKeyIYJFUHXGJFMOOG-UHFFFAOYSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol (CID 70796513) is 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol is CC(O)SC1CCN(C(C)C)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol?
The InChIKey is IYJFUHXGJFMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)11-6-4-10(5-7-11)13-9(3)12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol?
1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol has a molecular weight of 203.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)sulfanylethanol is sourced from PubChem (CID 70796513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).