4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide

C8H17NO3S — CID 122549030

IUPAC4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide
SMILESCC(C)CC1(C)CCOS(=O)(=O)N1
InChIInChI=1S/C8H17NO3S/c1-7(2)6-8(3)4-5-12-13(10,11)9-8/h7,9H,4-6H2,1-3H3
InChIKeyVQSAPTXZUDEZBA-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.05
Rot. Bonds2

About 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide

4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide (PubChem CID 122549030) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide
PubChem CID122549030
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide
SMILESCC(C)CC1(C)CCOS(=O)(=O)N1
InChIInChI=1S/C8H17NO3S/c1-7(2)6-8(3)4-5-12-13(10,11)9-8/h7,9H,4-6H2,1-3H3
InChIKeyVQSAPTXZUDEZBA-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-4-(2-methylpropyl)-2,2-dioxooxathiazolidine-3-carboxylic acid
CID 175078785
methyl 4,4-dimethyl-2-(2-methylpropyl)-1-oxaspiro[2.3]hexane-2-carboxylate
CID 165447944
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
2,3-dimethyl-3-(2-methylpropyl)-1,2-oxazolidine
CID 130459704
2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
4-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 58970518
2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 66179944
2-methyl-2-(2-methylpropyl)morpholine
CID 65122296
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
1,6-dimethyl-3-oxa-2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide
CID 166854504
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
2,2-bis(2-methylpropyl)oxane
CID 57237158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide?
The IUPAC name of 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide (CID 122549030) is 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide?
The canonical SMILES for 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide is CC(C)CC1(C)CCOS(=O)(=O)N1.
What is the InChIKey of 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide?
The InChIKey is VQSAPTXZUDEZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)6-8(3)4-5-12-13(10,11)9-8/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide?
4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide has a molecular weight of 207.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylpropyl)oxathiazinane 2,2-dioxide is sourced from PubChem (CID 122549030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).