(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide

C7H14N2O2S — CID 59562142

IUPAC(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide
SMILESC/C1=N/S(=O)(=O)CCCCN1C
InChIInChI=1S/C7H14N2O2S/c1-7-8-12(10,11)6-4-3-5-9(7)2/h3-6H2,1-2H3/b8-7-
InChIKeyRWRBGYGIRYRYJA-FPLPWBNLSA-N
MW190.27 g/mol
LogP0.46
Rot. Bonds

About (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide

(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide (PubChem CID 59562142) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide.

Molecular Properties

Compound Name(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide
PubChem CID59562142
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide
SMILESC/C1=N/S(=O)(=O)CCCCN1C
InChIInChI=1S/C7H14N2O2S/c1-7-8-12(10,11)6-4-3-5-9(7)2/h3-6H2,1-2H3/b8-7-
InChIKeyRWRBGYGIRYRYJA-FPLPWBNLSA-N
XLogP0.46
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide?
The IUPAC name of (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide (CID 59562142) is (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide.
What is the SMILES notation for (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide?
The canonical SMILES for (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide is C/C1=N/S(=O)(=O)CCCCN1C.
What is the InChIKey of (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide?
The InChIKey is RWRBGYGIRYRYJA-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-7-8-12(10,11)6-4-3-5-9(7)2/h3-6H2,1-2H3/b8-7-.
What are the key properties of (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide?
(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide has a molecular weight of 190.27 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide is sourced from PubChem (CID 59562142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).