3-thiomorpholin-4-ylhexan-1-ol

C10H21NOS — CID 91341561

IUPAC3-thiomorpholin-4-ylhexan-1-ol
SMILESCCCC(CCO)N1CCSCC1
InChIInChI=1S/C10H21NOS/c1-2-3-10(4-7-12)11-5-8-13-9-6-11/h10,12H,2-9H2,1H3
InChIKeyIGEYLCAPQCVDNM-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.59
Rot. Bonds5

About 3-thiomorpholin-4-ylhexan-1-ol

3-thiomorpholin-4-ylhexan-1-ol (PubChem CID 91341561) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylhexan-1-ol.

Molecular Properties

Compound Name3-thiomorpholin-4-ylhexan-1-ol
PubChem CID91341561
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-thiomorpholin-4-ylhexan-1-ol
SMILESCCCC(CCO)N1CCSCC1
InChIInChI=1S/C10H21NOS/c1-2-3-10(4-7-12)11-5-8-13-9-6-11/h10,12H,2-9H2,1H3
InChIKeyIGEYLCAPQCVDNM-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-ylhexan-1-ol?
The IUPAC name of 3-thiomorpholin-4-ylhexan-1-ol (CID 91341561) is 3-thiomorpholin-4-ylhexan-1-ol.
What is the SMILES notation for 3-thiomorpholin-4-ylhexan-1-ol?
The canonical SMILES for 3-thiomorpholin-4-ylhexan-1-ol is CCCC(CCO)N1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylhexan-1-ol?
The InChIKey is IGEYLCAPQCVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-3-10(4-7-12)11-5-8-13-9-6-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-thiomorpholin-4-ylhexan-1-ol?
3-thiomorpholin-4-ylhexan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylhexan-1-ol is sourced from PubChem (CID 91341561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).