2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

C11H19N3O2S2 — CID 71854939

IUPAC2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCS(=O)(=O)C(C)(C)C2)n1
InChIInChI=1S/C11H19N3O2S2/c1-8(2)9-12-10(17-13-9)14-5-6-18(15,16)11(3,4)7-14/h8H,5-7H2,1-4H3
InChIKeyJJPGOVVTFCCZSN-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.67
Rot. Bonds2

About 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 71854939) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID71854939
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nsc(N2CCS(=O)(=O)C(C)(C)C2)n1
InChIInChI=1S/C11H19N3O2S2/c1-8(2)9-12-10(17-13-9)14-5-6-18(15,16)11(3,4)7-14/h8H,5-7H2,1-4H3
InChIKeyJJPGOVVTFCCZSN-UHFFFAOYSA-N
XLogP1.67
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 71854939) is 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is CC(C)c1nsc(N2CCS(=O)(=O)C(C)(C)C2)n1.
What is the InChIKey of 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is JJPGOVVTFCCZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8(2)9-12-10(17-13-9)14-5-6-18(15,16)11(3,4)7-14/h8H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 289.43 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71854939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).