(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide

C8H15NO2S — CID 89377947

IUPAC(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)[C@H](C)[C@H](C)N1C
InChIInChI=1S/C8H15NO2S/c1-6-5-12(10,11)8(3)7(2)9(6)4/h7-8H,1,5H2,2-4H3/t7-,8+/m0/s1
InChIKeyJZEXNXKVMSVEOO-JGVFFNPUSA-N
MW189.28 g/mol
LogP0.64
Rot. Bonds

About (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide

(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide (PubChem CID 89377947) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide
PubChem CID89377947
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C1CS(=O)(=O)[C@H](C)[C@H](C)N1C
InChIInChI=1S/C8H15NO2S/c1-6-5-12(10,11)8(3)7(2)9(6)4/h7-8H,1,5H2,2-4H3/t7-,8+/m0/s1
InChIKeyJZEXNXKVMSVEOO-JGVFFNPUSA-N
XLogP0.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide (CID 89377947) is (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide is C=C1CS(=O)(=O)[C@H](C)[C@H](C)N1C.
What is the InChIKey of (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide?
The InChIKey is JZEXNXKVMSVEOO-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-5-12(10,11)8(3)7(2)9(6)4/h7-8H,1,5H2,2-4H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide?
(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 89377947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).