5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C13H19NO2S — CID 84634998

IUPAC5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc(C)c2c(c1)S(=O)(=O)C(C(C)C)CN2
InChIInChI=1S/C13H19NO2S/c1-8(2)12-7-14-13-10(4)5-9(3)6-11(13)17(12,15)16/h5-6,8,12,14H,7H2,1-4H3
InChIKeyJIHUBBSRTPCTHT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.53
Rot. Bonds1

About 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84634998) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84634998
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc(C)c2c(c1)S(=O)(=O)C(C(C)C)CN2
InChIInChI=1S/C13H19NO2S/c1-8(2)12-7-14-13-10(4)5-9(3)6-11(13)17(12,15)16/h5-6,8,12,14H,7H2,1-4H3
InChIKeyJIHUBBSRTPCTHT-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide with MolForge

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Related Compounds

3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole
CID 106985792
5,7-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82080973
2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84624940
6,8-dimethyl-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82113959
3,5,7-trimethyl-3-propan-2-yl-1,2-dihydroindole
CID 106701894
6,8-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230386
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623066
4,6-dimethyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 89199697
3,6,8-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 84620344
4,6-dimethyl-2,3-dihydro-1H-indol-3-amine
CID 84739515
2-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
CID 82298549
5,11-di(propan-2-yl)-4λ6-thia-2,8,10-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,7,11-tetraene 4,4-dioxide
CID 70800012

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84634998) is 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is Cc1cc(C)c2c(c1)S(=O)(=O)C(C(C)C)CN2.
What is the InChIKey of 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is JIHUBBSRTPCTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8(2)12-7-14-13-10(4)5-9(3)6-11(13)17(12,15)16/h5-6,8,12,14H,7H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 253.37 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84634998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).