2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione

C9H15NO2S — CID 126499193

IUPAC2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione
SMILESCC1OC1CC(=S)N1CCOCC1
InChIInChI=1S/C9H15NO2S/c1-7-8(12-7)6-9(13)10-2-4-11-5-3-10/h7-8H,2-6H2,1H3
InChIKeyQKLZCWJYGFUJOW-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.82
Rot. Bonds2

About 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione

2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione (PubChem CID 126499193) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione.

Molecular Properties

Compound Name2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione
PubChem CID126499193
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione
SMILESCC1OC1CC(=S)N1CCOCC1
InChIInChI=1S/C9H15NO2S/c1-7-8(12-7)6-9(13)10-2-4-11-5-3-10/h7-8H,2-6H2,1H3
InChIKeyQKLZCWJYGFUJOW-UHFFFAOYSA-N
XLogP0.82
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-4-sulfanylidenebutan-2-one
CID 126484570
1-morpholin-4-yldodecane-1-thione
CID 10379215
ethane;1-morpholin-4-ylethanethione
CID 142226083
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
CID 177489628
CID 177489628
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
methyl morpholine-4-carbodithioate
CID 5043631
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
N-(trimethylsilylmethyl)morpholine-4-carbothioamide
CID 15305442
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanethione
CID 142614303
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione?
The IUPAC name of 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione (CID 126499193) is 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione.
What is the SMILES notation for 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione?
The canonical SMILES for 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione is CC1OC1CC(=S)N1CCOCC1.
What is the InChIKey of 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione?
The InChIKey is QKLZCWJYGFUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-8(12-7)6-9(13)10-2-4-11-5-3-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione?
2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione has a molecular weight of 201.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxiran-2-yl)-1-morpholin-4-ylethanethione is sourced from PubChem (CID 126499193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).