ethane;6-thiomorpholin-4-ylhexan-1-ol

C12H27NOS — CID 144712015

IUPACethane;6-thiomorpholin-4-ylhexan-1-ol
SMILESCC.OCCCCCCN1CCSCC1
InChIInChI=1S/C10H21NOS.C2H6/c12-8-4-2-1-3-5-11-6-9-13-10-7-11;1-2/h12H,1-10H2;1-2H3
InChIKeyJHTBKEAEEXEOIW-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.61
Rot. Bonds6

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

ethane;6-thiomorpholin-4-ylhexan-1-ol (PubChem CID 144712015) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is ethane;6-thiomorpholin-4-ylhexan-1-ol.

Molecular Properties

Compound Nameethane;6-thiomorpholin-4-ylhexan-1-ol
PubChem CID144712015
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Nameethane;6-thiomorpholin-4-ylhexan-1-ol
SMILESCC.OCCCCCCN1CCSCC1
InChIInChI=1S/C10H21NOS.C2H6/c12-8-4-2-1-3-5-11-6-9-13-10-7-11;1-2/h12H,1-10H2;1-2H3
InChIKeyJHTBKEAEEXEOIW-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.61
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 ethane;6-thiomorpholin-4-ylhexan-1-ol?
The IUPAC name of ethane;6-thiomorpholin-4-ylhexan-1-ol (CID 144712015) is ethane;6-thiomorpholin-4-ylhexan-1-ol.
What is the SMILES notation for ethane;6-thiomorpholin-4-ylhexan-1-ol?
The canonical SMILES for ethane;6-thiomorpholin-4-ylhexan-1-ol is CC.OCCCCCCN1CCSCC1.
What is the InChIKey of ethane;6-thiomorpholin-4-ylhexan-1-ol?
The InChIKey is JHTBKEAEEXEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS.C2H6/c12-8-4-2-1-3-5-11-6-9-13-10-7-11;1-2/h12H,1-10H2;1-2H3.
What are the key properties of ethane;6-thiomorpholin-4-ylhexan-1-ol?
ethane;6-thiomorpholin-4-ylhexan-1-ol has a molecular weight of 233.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-thiomorpholin-4-ylhexan-1-ol is sourced from PubChem (CID 144712015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).