formamide;thiane

C6H13NOS — CID 174918643

IUPACformamide;thiane
SMILESC1CCSCC1.NC=O
InChIInChI=1S/C5H10S.CH3NO/c1-2-4-6-5-3-1;2-1-3/h1-5H2;1H,(H2,2,3)
InChIKeyAAQAIMMHTALKQK-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.00
Rot. Bonds

About formamide;thiane

formamide;thiane (PubChem CID 174918643) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is formamide;thiane.

Molecular Properties

Compound Nameformamide;thiane
PubChem CID174918643
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameformamide;thiane
SMILESC1CCSCC1.NC=O
InChIInChI=1S/C5H10S.CH3NO/c1-2-4-6-5-3-1;2-1-3/h1-5H2;1H,(H2,2,3)
InChIKeyAAQAIMMHTALKQK-UHFFFAOYSA-N
XLogP1.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formamide;thiane 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 formamide;thiane?
The IUPAC name of formamide;thiane (CID 174918643) is formamide;thiane.
What is the SMILES notation for formamide;thiane?
The canonical SMILES for formamide;thiane is C1CCSCC1.NC=O.
What is the InChIKey of formamide;thiane?
The InChIKey is AAQAIMMHTALKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.CH3NO/c1-2-4-6-5-3-1;2-1-3/h1-5H2;1H,(H2,2,3).
What are the key properties of formamide;thiane?
formamide;thiane has a molecular weight of 147.24 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;thiane is sourced from PubChem (CID 174918643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).