4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide

C9H16OS — CID 91080037

IUPAC4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCCC1C=C(C)S(=O)C(C)C1
InChIInChI=1S/C9H16OS/c1-4-9-5-7(2)11(10)8(3)6-9/h5,8-9H,4,6H2,1-3H3
InChIKeyQLORWXQHLQSTRE-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.46
Rot. Bonds1

About 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide

4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide (PubChem CID 91080037) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
PubChem CID91080037
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCCC1C=C(C)S(=O)C(C)C1
InChIInChI=1S/C9H16OS/c1-4-9-5-7(2)11(10)8(3)6-9/h5,8-9H,4,6H2,1-3H3
InChIKeyQLORWXQHLQSTRE-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-Difluorobutylsulfonylmethyl)-1-fluorocyclohexene
CID 59378325
3-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]-1-fluorocyclohexa-1,3-diene
CID 158143340
2-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]-3-fluorocyclohexa-1,3-diene
CID 162127639
trans-2-Vinyl-5-propenyl 3-methylsulfolane
CID 129811261
(1R,3R,4S)-3-ethyl-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 134896807
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 15318730
(1S,4R)-2-methylsulfinylbicyclo[2.2.1]hept-2-ene
CID 15506631
(1S,3S,4R)-3-ethyl-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 15940006
(1S,3R,4R)-3-ethyl-2lambda4-thiabicyclo[2.2.1]hept-5-ene 2-oxide
CID 21671486
(1S,3S,4R)-3-(2-methylprop-1-enyl)-2lambda4-thiabicyclo[2.2.2]oct-5-ene 2-oxide
CID 102096401
2,6-Dimethyl-8-propan-2-ylsulfanyloct-2-ene
CID 14689106

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide (CID 91080037) is 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide is CCC1C=C(C)S(=O)C(C)C1.
What is the InChIKey of 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
The InChIKey is QLORWXQHLQSTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-4-9-5-7(2)11(10)8(3)6-9/h5,8-9H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide?
4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide has a molecular weight of 172.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 91080037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).