4-methyl-2-propan-2-ylthiazinane 1,1-dioxide

C8H17NO2S — CID 67806027

IUPAC4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
SMILESCC1CCS(=O)(=O)N(C(C)C)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-6-8(3)4-5-12(9,10)11/h7-8H,4-6H2,1-3H3
InChIKeyWNMZQGJWPZNQFY-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds1

About 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide

4-methyl-2-propan-2-ylthiazinane 1,1-dioxide (PubChem CID 67806027) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
PubChem CID67806027
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
SMILESCC1CCS(=O)(=O)N(C(C)C)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-6-8(3)4-5-12(9,10)11/h7-8H,4-6H2,1-3H3
InChIKeyWNMZQGJWPZNQFY-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-propan-2-ylthiazinane 1,1-dioxide
CID 164956679
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
CID 127013325
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(4R)-2-iodo-4-propan-2-ylthiazinane 1,1-dioxide
CID 146588168
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 130481412
8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
CID 118373745
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanenitrile
CID 79579598
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol
CID 149403844
4-methyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanoic acid
CID 79579929
2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016531

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide?
The IUPAC name of 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide (CID 67806027) is 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide?
The canonical SMILES for 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide is CC1CCS(=O)(=O)N(C(C)C)C1.
What is the InChIKey of 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide?
The InChIKey is WNMZQGJWPZNQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)9-6-8(3)4-5-12(9,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide?
4-methyl-2-propan-2-ylthiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylthiazinane 1,1-dioxide is sourced from PubChem (CID 67806027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).