4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide

C8H16N2O2S — CID 59355333

IUPAC4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide
SMILESC=C(C)N1CCS(=O)(=O)CCN1C
InChIInChI=1S/C8H16N2O2S/c1-8(2)10-5-7-13(11,12)6-4-9(10)3/h1,4-7H2,2-3H3
InChIKeyVFCCVONAUCQVAR-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.10
Rot. Bonds1

About 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide

4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide (PubChem CID 59355333) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide
PubChem CID59355333
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide
SMILESC=C(C)N1CCS(=O)(=O)CCN1C
InChIInChI=1S/C8H16N2O2S/c1-8(2)10-5-7-13(11,12)6-4-9(10)3/h1,4-7H2,2-3H3
InChIKeyVFCCVONAUCQVAR-UHFFFAOYSA-N
XLogP0.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide (CID 59355333) is 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide is C=C(C)N1CCS(=O)(=O)CCN1C.
What is the InChIKey of 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide?
The InChIKey is VFCCVONAUCQVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8(2)10-5-7-13(11,12)6-4-9(10)3/h1,4-7H2,2-3H3.
What are the key properties of 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide?
4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-1-en-2-yl-1,4,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 59355333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).