6-(2-ethylthiomorpholin-4-yl)hexan-1-ol

C12H25NOS — CID 103738012

IUPAC6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
SMILESCCC1CN(CCCCCCO)CCS1
InChIInChI=1S/C12H25NOS/c1-2-12-11-13(8-10-15-12)7-5-3-4-6-9-14/h12,14H,2-11H2,1H3
InChIKeyLEOMCDBBACKNAZ-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.37
Rot. Bonds7

About 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol

6-(2-ethylthiomorpholin-4-yl)hexan-1-ol (PubChem CID 103738012) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
PubChem CID103738012
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
SMILESCCC1CN(CCCCCCO)CCS1
InChIInChI=1S/C12H25NOS/c1-2-12-11-13(8-10-15-12)7-5-3-4-6-9-14/h12,14H,2-11H2,1H3
InChIKeyLEOMCDBBACKNAZ-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.37
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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Related Compounds

9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
CID 105344286
4-butyl-2-ethylthiomorpholine
CID 13356762
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
CID 75504321
(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
CID 106932899
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
CID 115927904
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
CID 104696561
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol?
The IUPAC name of 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol (CID 103738012) is 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol.
What is the SMILES notation for 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol?
The canonical SMILES for 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol is CCC1CN(CCCCCCO)CCS1.
What is the InChIKey of 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol?
The InChIKey is LEOMCDBBACKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-2-12-11-13(8-10-15-12)7-5-3-4-6-9-14/h12,14H,2-11H2,1H3.
What are the key properties of 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol?
6-(2-ethylthiomorpholin-4-yl)hexan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylthiomorpholin-4-yl)hexan-1-ol is sourced from PubChem (CID 103738012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).