10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one

C9H18N2O3S — CID 100935292

IUPAC10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one
SMILESCC1(C)C(=O)NCCCCCNS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2)8(12)10-6-4-3-5-7-11-15(9,13)14/h11H,3-7H2,1-2H3,(H,10,12)
InChIKeySOUCTRHPWUKECX-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.02
Rot. Bonds

About 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one

10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one (PubChem CID 100935292) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one.

Molecular Properties

Compound Name10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one
PubChem CID100935292
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one
SMILESCC1(C)C(=O)NCCCCCNS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2)8(12)10-6-4-3-5-7-11-15(9,13)14/h11H,3-7H2,1-2H3,(H,10,12)
InChIKeySOUCTRHPWUKECX-UHFFFAOYSA-N
XLogP-0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one?
The IUPAC name of 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one (CID 100935292) is 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one.
What is the SMILES notation for 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one?
The canonical SMILES for 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one is CC1(C)C(=O)NCCCCCNS1(=O)=O.
What is the InChIKey of 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one?
The InChIKey is SOUCTRHPWUKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2)8(12)10-6-4-3-5-7-11-15(9,13)14/h11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one?
10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one has a molecular weight of 234.32 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-1,1-dioxo-1,2,8-thiadiazecan-9-one is sourced from PubChem (CID 100935292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).