(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide

C10H16OS — CID 134994578

IUPAC(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC(C)=C[C@@H]1CC(C)=CC[S@@]1=O
InChIInChI=1S/C10H16OS/c1-8(2)6-10-7-9(3)4-5-12(10)11/h4,6,10H,5,7H2,1-3H3/t10-,12+/m1/s1
InChIKeySSLJWVLVMZHGSF-PWSUYJOCSA-N
MW184.30 g/mol
LogP2.42
Rot. Bonds1

About (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide

(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 134994578) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID134994578
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC(C)=C[C@@H]1CC(C)=CC[S@@]1=O
InChIInChI=1S/C10H16OS/c1-8(2)6-10-7-9(3)4-5-12(10)11/h4,6,10H,5,7H2,1-3H3/t10-,12+/m1/s1
InChIKeySSLJWVLVMZHGSF-PWSUYJOCSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
(3S)-3-tert-butylsulfonylcyclohexene
CID 10932538
7-Methyl-2,3,4,5-tetrahydrothiepine 1-oxide
CID 12738409
(E)-1-methylsulfinyloct-3-ene
CID 14024908
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
2,4-Dimethyl-1-(2,2,2-trifluoroethylsulfinyl)cyclohexa-1,4-diene
CID 91326080
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
6-Tert-butylsulfinylhex-1-ene
CID 12385586
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 12610444
(E)-1-methylsulfinyl-hept-3-ene
CID 14024906

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide (CID 134994578) is (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide is CC(C)=C[C@@H]1CC(C)=CC[S@@]1=O.
What is the InChIKey of (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is SSLJWVLVMZHGSF-PWSUYJOCSA-N. The full InChI is InChI=1S/C10H16OS/c1-8(2)6-10-7-9(3)4-5-12(10)11/h4,6,10H,5,7H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 184.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 134994578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).