6,6-dimethyl-1,1-dioxothiepan-2-amine

C8H17NO2S — CID 91466096

IUPAC6,6-dimethyl-1,1-dioxothiepan-2-amine
SMILESCC1(C)CCCC(N)S(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-8(2)5-3-4-7(9)12(10,11)6-8/h7H,3-6,9H2,1-2H3
InChIKeyRBFIBFPMDSWFOG-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.90
Rot. Bonds

About 6,6-dimethyl-1,1-dioxothiepan-2-amine

6,6-dimethyl-1,1-dioxothiepan-2-amine (PubChem CID 91466096) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 6,6-dimethyl-1,1-dioxothiepan-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-1,1-dioxothiepan-2-amine
PubChem CID91466096
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name6,6-dimethyl-1,1-dioxothiepan-2-amine
SMILESCC1(C)CCCC(N)S(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-8(2)5-3-4-7(9)12(10,11)6-8/h7H,3-6,9H2,1-2H3
InChIKeyRBFIBFPMDSWFOG-UHFFFAOYSA-N
XLogP0.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-6-methyl-1-oxothiepan-2-amine
CID 91153225
6-Methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine
CID 91375430
2-(4,4-Dimethylpentylsulfonyl)ethanamine
CID 166827928
6-Ethylsulfonyl-2,2-dimethylhexan-3-amine
CID 61057473
2-Methyl-2-(2-methylsulfonylethyl)pentan-1-amine
CID 62725898
2-(2-Ethylsulfonylethyl)-2-methylpentan-1-amine
CID 62726102
2-Ethyl-2-(2-ethylsulfonylethyl)hexan-1-amine
CID 62726319
2,2-Dimethyl-5-methylsulfonylpentan-1-amine
CID 63195833
2,2-Diethyl-5-methylsulfonylpentan-1-amine
CID 63195926
2-Ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195975
5-Ethylsulfonyl-2,2-dimethylpentan-1-amine
CID 65097335
6-Ethylsulfonyl-2-methylhexan-1-amine
CID 65097363

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,1-dioxothiepan-2-amine?
The IUPAC name of 6,6-dimethyl-1,1-dioxothiepan-2-amine (CID 91466096) is 6,6-dimethyl-1,1-dioxothiepan-2-amine.
What is the SMILES notation for 6,6-dimethyl-1,1-dioxothiepan-2-amine?
The canonical SMILES for 6,6-dimethyl-1,1-dioxothiepan-2-amine is CC1(C)CCCC(N)S(=O)(=O)C1.
What is the InChIKey of 6,6-dimethyl-1,1-dioxothiepan-2-amine?
The InChIKey is RBFIBFPMDSWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)5-3-4-7(9)12(10,11)6-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,1-dioxothiepan-2-amine?
6,6-dimethyl-1,1-dioxothiepan-2-amine has a molecular weight of 191.30 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,1-dioxothiepan-2-amine is sourced from PubChem (CID 91466096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).