3-ethyl-6-morpholin-4-ylhexane-1-thiol

C12H25NOS — CID 123795908

IUPAC3-ethyl-6-morpholin-4-ylhexane-1-thiol
SMILESCCC(CCS)CCCN1CCOCC1
InChIInChI=1S/C12H25NOS/c1-2-12(5-11-15)4-3-6-13-7-9-14-10-8-13/h12,15H,2-11H2,1H3
InChIKeyYGRKSKOONDTHPX-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.44
Rot. Bonds7

About 3-ethyl-6-morpholin-4-ylhexane-1-thiol

3-ethyl-6-morpholin-4-ylhexane-1-thiol (PubChem CID 123795908) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-ethyl-6-morpholin-4-ylhexane-1-thiol.

Molecular Properties

Compound Name3-ethyl-6-morpholin-4-ylhexane-1-thiol
PubChem CID123795908
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-ethyl-6-morpholin-4-ylhexane-1-thiol
SMILESCCC(CCS)CCCN1CCOCC1
InChIInChI=1S/C12H25NOS/c1-2-12(5-11-15)4-3-6-13-7-9-14-10-8-13/h12,15H,2-11H2,1H3
InChIKeyYGRKSKOONDTHPX-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione
CID 98150
4-(2-Methylhexyl)morpholine
CID 102491214
4-(2-Ethylhexyl)morpholine
CID 250521
(3R,4S)-2,5-dimethyl-4-morpholin-4-ylhexane-3-thiol
CID 23251230
2-Methyl-1-morpholin-4-ylpentane-1-thione
CID 134875719
2-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethoxy]ethanethiol
CID 80015816
2-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethoxy]ethanethiol
CID 80016180
2-Ethyl-1-(morpholin-4-yl)hexane-1-thione
CID 348515
4-(2-Ethylhexyl)-4-methylmorpholin-4-ium
CID 429508
4-Methyl-1-morpholin-4-ylpentane-1-thione
CID 11117095
5-(Morpholin-4-yl)pentane-1-thiol
CID 17766566
6-Morpholin-4-ylhexane-1-thiol
CID 17766592

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-morpholin-4-ylhexane-1-thiol?
The IUPAC name of 3-ethyl-6-morpholin-4-ylhexane-1-thiol (CID 123795908) is 3-ethyl-6-morpholin-4-ylhexane-1-thiol.
What is the SMILES notation for 3-ethyl-6-morpholin-4-ylhexane-1-thiol?
The canonical SMILES for 3-ethyl-6-morpholin-4-ylhexane-1-thiol is CCC(CCS)CCCN1CCOCC1.
What is the InChIKey of 3-ethyl-6-morpholin-4-ylhexane-1-thiol?
The InChIKey is YGRKSKOONDTHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-2-12(5-11-15)4-3-6-13-7-9-14-10-8-13/h12,15H,2-11H2,1H3.
What are the key properties of 3-ethyl-6-morpholin-4-ylhexane-1-thiol?
3-ethyl-6-morpholin-4-ylhexane-1-thiol has a molecular weight of 231.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-morpholin-4-ylhexane-1-thiol is sourced from PubChem (CID 123795908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).