4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide

C8H17NO2S — CID 58815001

IUPAC4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)C1CN(C)CCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)8-6-9(3)4-5-12(8,10)11/h7-8H,4-6H2,1-3H3
InChIKeyNUZMEYGGNUKRHI-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.37
Rot. Bonds1

About 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide

4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 58815001) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID58815001
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)C1CN(C)CCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)8-6-9(3)4-5-12(8,10)11/h7-8H,4-6H2,1-3H3
InChIKeyNUZMEYGGNUKRHI-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,4-dimethyl-3-propan-2-ylpiperidine
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4-methyl-1,2-di(propan-2-yl)piperazine
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(4-methyl-1,1-dioxo-1,4-thiazepan-2-yl)methanamine
CID 84772482
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
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(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
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1,1,4-trimethyl-3-propan-2-yl-1,4-thiazinane
CID 171818329
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide (CID 58815001) is 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide is CC(C)C1CN(C)CCS1(=O)=O.
What is the InChIKey of 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NUZMEYGGNUKRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)8-6-9(3)4-5-12(8,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide?
4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58815001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).