6,6-dimethyl-1,1-dioxothian-3-amine

C7H15NO2S — CID 59657858

IUPAC6,6-dimethyl-1,1-dioxothian-3-amine
SMILESCC1(C)CCC(N)CS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2)4-3-6(8)5-11(7,9)10/h6H,3-5,8H2,1-2H3
InChIKeyOXJZWMFVTQIUCH-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.30
Rot. Bonds

About 6,6-dimethyl-1,1-dioxothian-3-amine

6,6-dimethyl-1,1-dioxothian-3-amine (PubChem CID 59657858) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 6,6-dimethyl-1,1-dioxothian-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-1,1-dioxothian-3-amine
PubChem CID59657858
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name6,6-dimethyl-1,1-dioxothian-3-amine
SMILESCC1(C)CCC(N)CS1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2)4-3-6(8)5-11(7,9)10/h6H,3-5,8H2,1-2H3
InChIKeyOXJZWMFVTQIUCH-UHFFFAOYSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,1-dioxothian-3-amine?
The IUPAC name of 6,6-dimethyl-1,1-dioxothian-3-amine (CID 59657858) is 6,6-dimethyl-1,1-dioxothian-3-amine.
What is the SMILES notation for 6,6-dimethyl-1,1-dioxothian-3-amine?
The canonical SMILES for 6,6-dimethyl-1,1-dioxothian-3-amine is CC1(C)CCC(N)CS1(=O)=O.
What is the InChIKey of 6,6-dimethyl-1,1-dioxothian-3-amine?
The InChIKey is OXJZWMFVTQIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)4-3-6(8)5-11(7,9)10/h6H,3-5,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,1-dioxothian-3-amine?
6,6-dimethyl-1,1-dioxothian-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.30, 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-dioxothian-3-amine is sourced from PubChem (CID 59657858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).