ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide

C8H17NO2S — CID 90687463

IUPACethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CCN1C.CC
InChIInChI=1S/C6H11NO2S.C2H6/c1-6-5-10(8,9)4-3-7(6)2;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyBMTPZWKSYYBXNA-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.89
Rot. Bonds

About ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide

ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide (PubChem CID 90687463) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Nameethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
PubChem CID90687463
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Nameethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)CCN1C.CC
InChIInChI=1S/C6H11NO2S.C2H6/c1-6-5-10(8,9)4-3-7(6)2;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyBMTPZWKSYYBXNA-UHFFFAOYSA-N
XLogP0.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
CID 24975881
4-Methyl-3-methylidene-1,4-thiazinane 1-oxide
CID 57557910
4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide
CID 58283414
4-Methyl-4-prop-2-enyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 59019154
4-(3-Methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide
CID 59253607
4-Methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
CID 59520041
4-Prop-1-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 68271847
4-Butyl-3,3-dimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide
CID 68394194
4-Prop-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740437
(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide
CID 89377947
4-(4-Methylpent-1-en-2-yl)-1,4-thiazinane 1,1-dioxide
CID 89670697
4-Buta-1,3-dien-2-yl-1,4-thiazinane 1,1-dioxide
CID 123468682

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
The IUPAC name of ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide (CID 90687463) is ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide is C=C1CS(=O)(=O)CCN1C.CC.
What is the InChIKey of ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
The InChIKey is BMTPZWKSYYBXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.C2H6/c1-6-5-10(8,9)4-3-7(6)2;1-2/h1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide?
ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 90687463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).