5-thiomorpholin-3-ylpentan-1-ol

C9H19NOS — CID 18958782

IUPAC5-thiomorpholin-3-ylpentan-1-ol
SMILESOCCCCCC1CSCCN1
InChIInChI=1S/C9H19NOS/c11-6-3-1-2-4-9-8-12-7-5-10-9/h9-11H,1-8H2
InChIKeyKPNUJPDXTWZIBG-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds5

About 5-thiomorpholin-3-ylpentan-1-ol

5-thiomorpholin-3-ylpentan-1-ol (PubChem CID 18958782) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 5-thiomorpholin-3-ylpentan-1-ol.

Molecular Properties

Compound Name5-thiomorpholin-3-ylpentan-1-ol
PubChem CID18958782
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name5-thiomorpholin-3-ylpentan-1-ol
SMILESOCCCCCC1CSCCN1
InChIInChI=1S/C9H19NOS/c11-6-3-1-2-4-9-8-12-7-5-10-9/h9-11H,1-8H2
InChIKeyKPNUJPDXTWZIBG-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-pyrrolidin-2-ylheptan-1-ol
CID 10330055
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
4-[(2S)-aziridin-2-yl]butan-1-ol
CID 99770578
3-(bromomethyl)thiomorpholine
CID 119096156
2-(6-hydroxyhexyl)piperidin-4-ol
CID 57118356
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
1-thiomorpholin-3-ylnonan-2-one
CID 116586482
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209

Frequently Asked Questions

What is the IUPAC name of 5-thiomorpholin-3-ylpentan-1-ol?
The IUPAC name of 5-thiomorpholin-3-ylpentan-1-ol (CID 18958782) is 5-thiomorpholin-3-ylpentan-1-ol.
What is the SMILES notation for 5-thiomorpholin-3-ylpentan-1-ol?
The canonical SMILES for 5-thiomorpholin-3-ylpentan-1-ol is OCCCCCC1CSCCN1.
What is the InChIKey of 5-thiomorpholin-3-ylpentan-1-ol?
The InChIKey is KPNUJPDXTWZIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c11-6-3-1-2-4-9-8-12-7-5-10-9/h9-11H,1-8H2.
What are the key properties of 5-thiomorpholin-3-ylpentan-1-ol?
5-thiomorpholin-3-ylpentan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiomorpholin-3-ylpentan-1-ol is sourced from PubChem (CID 18958782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).