ethane;N-methyl-1-oxothian-4-amine

C8H19NOS — CID 144580685

IUPACethane;N-methyl-1-oxothian-4-amine
SMILESCC.CNC1CCS(=O)CC1
InChIInChI=1S/C6H13NOS.C2H6/c1-7-6-2-4-9(8)5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyMMWDMIZDTLWYHL-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.14
Rot. Bonds1

About ethane;N-methyl-1-oxothian-4-amine

ethane;N-methyl-1-oxothian-4-amine (PubChem CID 144580685) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;N-methyl-1-oxothian-4-amine.

Molecular Properties

Compound Nameethane;N-methyl-1-oxothian-4-amine
PubChem CID144580685
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;N-methyl-1-oxothian-4-amine
SMILESCC.CNC1CCS(=O)CC1
InChIInChI=1S/C6H13NOS.C2H6/c1-7-6-2-4-9(8)5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyMMWDMIZDTLWYHL-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-1-oxothian-4-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 ethane;N-methyl-1-oxothian-4-amine?
The IUPAC name of ethane;N-methyl-1-oxothian-4-amine (CID 144580685) is ethane;N-methyl-1-oxothian-4-amine.
What is the SMILES notation for ethane;N-methyl-1-oxothian-4-amine?
The canonical SMILES for ethane;N-methyl-1-oxothian-4-amine is CC.CNC1CCS(=O)CC1.
What is the InChIKey of ethane;N-methyl-1-oxothian-4-amine?
The InChIKey is MMWDMIZDTLWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-7-6-2-4-9(8)5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-oxothian-4-amine?
ethane;N-methyl-1-oxothian-4-amine has a molecular weight of 177.31 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-oxothian-4-amine is sourced from PubChem (CID 144580685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).