6,6-dimethyl-1-oxothian-3-amine

C7H15NOS — CID 59657952

IUPAC6,6-dimethyl-1-oxothian-3-amine
SMILESCC1(C)CCC(N)CS1=O
InChIInChI=1S/C7H15NOS/c1-7(2)4-3-6(8)5-10(7)9/h6H,3-5,8H2,1-2H3
InChIKeyKJOGHCZWLSWWAL-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.63
Rot. Bonds

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

6,6-dimethyl-1-oxothian-3-amine (PubChem CID 59657952) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 6,6-dimethyl-1-oxothian-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-oxothian-3-amine
PubChem CID59657952
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name6,6-dimethyl-1-oxothian-3-amine
SMILESCC1(C)CCC(N)CS1=O
InChIInChI=1S/C7H15NOS/c1-7(2)4-3-6(8)5-10(7)9/h6H,3-5,8H2,1-2H3
InChIKeyKJOGHCZWLSWWAL-UHFFFAOYSA-N
XLogP0.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethyl-1-oxothian-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-oxothian-3-amine?
The IUPAC name of 6,6-dimethyl-1-oxothian-3-amine (CID 59657952) is 6,6-dimethyl-1-oxothian-3-amine.
What is the SMILES notation for 6,6-dimethyl-1-oxothian-3-amine?
The canonical SMILES for 6,6-dimethyl-1-oxothian-3-amine is CC1(C)CCC(N)CS1=O.
What is the InChIKey of 6,6-dimethyl-1-oxothian-3-amine?
The InChIKey is KJOGHCZWLSWWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2)4-3-6(8)5-10(7)9/h6H,3-5,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-oxothian-3-amine?
6,6-dimethyl-1-oxothian-3-amine has a molecular weight of 161.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-oxothian-3-amine is sourced from PubChem (CID 59657952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).