3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide

C12H25NO2S — CID 21394475

IUPAC3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CN1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C12H25NO2S/c1-10(2)7-13-11(3,4)8-16(14,15)9-12(13,5)6/h10H,7-9H2,1-6H3
InChIKeyFZXGNRUDSNTLRY-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.93
Rot. Bonds2

About 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide

3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 21394475) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide
PubChem CID21394475
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CN1C(C)(C)CS(=O)(=O)CC1(C)C
InChIInChI=1S/C12H25NO2S/c1-10(2)7-13-11(3,4)8-16(14,15)9-12(13,5)6/h10H,7-9H2,1-6H3
InChIKeyFZXGNRUDSNTLRY-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide (CID 21394475) is 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide is CC(C)CN1C(C)(C)CS(=O)(=O)CC1(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is FZXGNRUDSNTLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)7-13-11(3,4)8-16(14,15)9-12(13,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide?
3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 247.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 21394475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).