2-hexylthiomorpholine;hydrochloride

C10H22ClNS — CID 175272280

IUPAC2-hexylthiomorpholine;hydrochloride
SMILESCCCCCCC1CNCCS1.Cl
InChIInChI=1S/C10H21NS.ClH/c1-2-3-4-5-6-10-9-11-7-8-12-10;/h10-11H,2-9H2,1H3;1H
InChIKeySRYPZYPLFFWHSF-UHFFFAOYSA-N
MW223.81 g/mol
LogP3.08
Rot. Bonds5

About 2-hexylthiomorpholine;hydrochloride

2-hexylthiomorpholine;hydrochloride (PubChem CID 175272280) has the molecular formula C10H22ClNS and a molecular weight of 223.81 g/mol. Its IUPAC name is 2-hexylthiomorpholine;hydrochloride.

Molecular Properties

Compound Name2-hexylthiomorpholine;hydrochloride
PubChem CID175272280
Molecular FormulaC10H22ClNS
Molecular Weight223.81 g/mol
Exact Mass223.12
IUPAC Name2-hexylthiomorpholine;hydrochloride
SMILESCCCCCCC1CNCCS1.Cl
InChIInChI=1S/C10H21NS.ClH/c1-2-3-4-5-6-10-9-11-7-8-12-10;/h10-11H,2-9H2,1H3;1H
InChIKeySRYPZYPLFFWHSF-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-decyl-1,3-thiazolidine
CID 175294789
2-nonylthietane
CID 21487379
2-ethylthiomorpholine
CID 21495166
2-(2-chloroethyl)thiomorpholine
CID 23117903
2-dodecylthiane
CID 14420052
(2S)-4-fluoro-2-heptylthiane
CID 154715733
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
2-butylthietane
CID 102085907
2-nonyl-1,3-thiazinane;hydrochloride
CID 3061409
2-octadecylpiperazine
CID 155671137
3-hexylazetidine
CID 79452100
(3S)-3-pentylpyrrolidine
CID 10261191

Frequently Asked Questions

What is the IUPAC name of 2-hexylthiomorpholine;hydrochloride?
The IUPAC name of 2-hexylthiomorpholine;hydrochloride (CID 175272280) is 2-hexylthiomorpholine;hydrochloride.
What is the SMILES notation for 2-hexylthiomorpholine;hydrochloride?
The canonical SMILES for 2-hexylthiomorpholine;hydrochloride is CCCCCCC1CNCCS1.Cl.
What is the InChIKey of 2-hexylthiomorpholine;hydrochloride?
The InChIKey is SRYPZYPLFFWHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.ClH/c1-2-3-4-5-6-10-9-11-7-8-12-10;/h10-11H,2-9H2,1H3;1H.
What are the key properties of 2-hexylthiomorpholine;hydrochloride?
2-hexylthiomorpholine;hydrochloride has a molecular weight of 223.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylthiomorpholine;hydrochloride is sourced from PubChem (CID 175272280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).