N,N-dimethylthian-3-amine

C7H15NS — CID 14024578

IUPACN,N-dimethylthian-3-amine
SMILESCN(C)C1CCCSC1
InChIInChI=1S/C7H15NS/c1-8(2)7-4-3-5-9-6-7/h7H,3-6H2,1-2H3
InChIKeyHUKCNAXKHTUPQI-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds1

About N,N-dimethylthian-3-amine

N,N-dimethylthian-3-amine (PubChem CID 14024578) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N,N-dimethylthian-3-amine.

Molecular Properties

Compound NameN,N-dimethylthian-3-amine
PubChem CID14024578
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN,N-dimethylthian-3-amine
SMILESCN(C)C1CCCSC1
InChIInChI=1S/C7H15NS/c1-8(2)7-4-3-5-9-6-7/h7H,3-6H2,1-2H3
InChIKeyHUKCNAXKHTUPQI-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethylthian-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 N,N-dimethylthian-3-amine?
The IUPAC name of N,N-dimethylthian-3-amine (CID 14024578) is N,N-dimethylthian-3-amine.
What is the SMILES notation for N,N-dimethylthian-3-amine?
The canonical SMILES for N,N-dimethylthian-3-amine is CN(C)C1CCCSC1.
What is the InChIKey of N,N-dimethylthian-3-amine?
The InChIKey is HUKCNAXKHTUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8(2)7-4-3-5-9-6-7/h7H,3-6H2,1-2H3.
What are the key properties of N,N-dimethylthian-3-amine?
N,N-dimethylthian-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylthian-3-amine is sourced from PubChem (CID 14024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).