6-thiomorpholin-4-ylhexan-1-ol

C10H21NOS — CID 57458983

IUPAC6-thiomorpholin-4-ylhexan-1-ol
SMILESOCCCCCCN1CCSCC1
InChIInChI=1S/C10H21NOS/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h12H,1-10H2
InChIKeyUAGGBBPZBZXTIT-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.59
Rot. Bonds6

About 6-thiomorpholin-4-ylhexan-1-ol

6-thiomorpholin-4-ylhexan-1-ol (PubChem CID 57458983) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 6-thiomorpholin-4-ylhexan-1-ol.

Molecular Properties

Compound Name6-thiomorpholin-4-ylhexan-1-ol
PubChem CID57458983
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name6-thiomorpholin-4-ylhexan-1-ol
SMILESOCCCCCCN1CCSCC1
InChIInChI=1S/C10H21NOS/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h12H,1-10H2
InChIKeyUAGGBBPZBZXTIT-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-thiomorpholin-4-ylhexan-1-ol?
The IUPAC name of 6-thiomorpholin-4-ylhexan-1-ol (CID 57458983) is 6-thiomorpholin-4-ylhexan-1-ol.
What is the SMILES notation for 6-thiomorpholin-4-ylhexan-1-ol?
The canonical SMILES for 6-thiomorpholin-4-ylhexan-1-ol is OCCCCCCN1CCSCC1.
What is the InChIKey of 6-thiomorpholin-4-ylhexan-1-ol?
The InChIKey is UAGGBBPZBZXTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h12H,1-10H2.
What are the key properties of 6-thiomorpholin-4-ylhexan-1-ol?
6-thiomorpholin-4-ylhexan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiomorpholin-4-ylhexan-1-ol is sourced from PubChem (CID 57458983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).