3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide

C9H19NO2S — CID 90181177

IUPAC3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide
SMILESCN1CCS(=O)(=O)CC1C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-9(2,3)8-7-13(11,12)6-5-10(8)4/h8H,5-7H2,1-4H3
InChIKeyQSLSFNOCUHGYGX-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds

About 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide

3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 90181177) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID90181177
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide
SMILESCN1CCS(=O)(=O)CC1C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-9(2,3)8-7-13(11,12)6-5-10(8)4/h8H,5-7H2,1-4H3
InChIKeyQSLSFNOCUHGYGX-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-Butyl-1lambda6-thiomorpholine-1,1-dione
CID 64437763
4-(Cyclopropylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71916738
2,3,4-Trimethyl-1,4-thiazinane 1,1-dioxide
CID 58520634
1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 126779091
(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348666
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
(3S)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348668
(3R)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348669
4-(2-Fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130905954
4-Pentan-3-yl-1,4-thiazinane 1,1-dioxide
CID 4353598
1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide (CID 90181177) is 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide is CN1CCS(=O)(=O)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is QSLSFNOCUHGYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)8-7-13(11,12)6-5-10(8)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide?
3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 90181177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).