8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one

C7H14N2O3S — CID 100935290

IUPAC8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one
SMILESCC1(C)C(=O)NCCCNS1(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-7(2)6(10)8-4-3-5-9-13(7,11)12/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyZCALUHRSZUZCCA-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.80
Rot. Bonds

About 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one

8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one (PubChem CID 100935290) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one.

Molecular Properties

Compound Name8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one
PubChem CID100935290
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one
SMILESCC1(C)C(=O)NCCCNS1(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-7(2)6(10)8-4-3-5-9-13(7,11)12/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyZCALUHRSZUZCCA-UHFFFAOYSA-N
XLogP-0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one
CID 100935292
1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
CID 55280250
1,6,6,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione
CID 12710130
3-methoxy-3-methylazepan-2-one
CID 89257718
9,9-dimethyl-1,4,7-triazecane-8,10-dione
CID 66730110
3,3-diethylpiperidin-2-one
CID 10329495
3,3-dimethylpiperazin-2-one;ethane
CID 91488380
ethane;3-fluoro-3-methylpyrrolidin-2-one
CID 164536225
1,3-diazinan-2-one;hydrochloride
CID 78169824
2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride
CID 162422730
2,2-dimethyl-1,1-dioxo-1λ6-thia-5-azacyclohexadecan-4-one
CID 141118188
2-oxoazepane-3,3-dithiolate
CID 22026434

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one?
The IUPAC name of 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one (CID 100935290) is 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one.
What is the SMILES notation for 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one?
The canonical SMILES for 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one is CC1(C)C(=O)NCCCNS1(=O)=O.
What is the InChIKey of 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one?
The InChIKey is ZCALUHRSZUZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-7(2)6(10)8-4-3-5-9-13(7,11)12/h9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one?
8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one has a molecular weight of 206.27 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,1-dioxo-1,2,6-thiadiazocan-7-one is sourced from PubChem (CID 100935290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).