3,3-dimethyl-1,1-dioxothian-4-amine

C7H15NO2S — CID 59657846

IUPAC3,3-dimethyl-1,1-dioxothian-4-amine
SMILESCC1(C)CS(=O)(=O)CCC1N
InChIInChI=1S/C7H15NO2S/c1-7(2)5-11(9,10)4-3-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyXWYYGCSBLNZFIL-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.16
Rot. Bonds

About 3,3-dimethyl-1,1-dioxothian-4-amine

3,3-dimethyl-1,1-dioxothian-4-amine (PubChem CID 59657846) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3,3-dimethyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1,1-dioxothian-4-amine
PubChem CID59657846
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3,3-dimethyl-1,1-dioxothian-4-amine
SMILESCC1(C)CS(=O)(=O)CCC1N
InChIInChI=1S/C7H15NO2S/c1-7(2)5-11(9,10)4-3-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyXWYYGCSBLNZFIL-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,1-dioxothian-4-amine?
The IUPAC name of 3,3-dimethyl-1,1-dioxothian-4-amine (CID 59657846) is 3,3-dimethyl-1,1-dioxothian-4-amine.
What is the SMILES notation for 3,3-dimethyl-1,1-dioxothian-4-amine?
The canonical SMILES for 3,3-dimethyl-1,1-dioxothian-4-amine is CC1(C)CS(=O)(=O)CCC1N.
What is the InChIKey of 3,3-dimethyl-1,1-dioxothian-4-amine?
The InChIKey is XWYYGCSBLNZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)5-11(9,10)4-3-6(7)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,1-dioxothian-4-amine?
3,3-dimethyl-1,1-dioxothian-4-amine has a molecular weight of 177.27 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 59657846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).