N-[phenyl(thiophen-2-yl)methyl]thian-3-amine

C16H19NS2 — CID 62873455

IUPACN-[phenyl(thiophen-2-yl)methyl]thian-3-amine
SMILESc1ccc(C(NC2CCCSC2)c2cccs2)cc1
InChIInChI=1S/C16H19NS2/c1-2-6-13(7-3-1)16(15-9-5-11-19-15)17-14-8-4-10-18-12-14/h1-3,5-7,9,11,14,16-17H,4,8,10,12H2
InChIKeyNKPYQXQFXSOAIP-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.32
Rot. Bonds4

About N-[phenyl(thiophen-2-yl)methyl]thian-3-amine

N-[phenyl(thiophen-2-yl)methyl]thian-3-amine (PubChem CID 62873455) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[phenyl(thiophen-2-yl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[phenyl(thiophen-2-yl)methyl]thian-3-amine
PubChem CID62873455
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC NameN-[phenyl(thiophen-2-yl)methyl]thian-3-amine
SMILESc1ccc(C(NC2CCCSC2)c2cccs2)cc1
InChIInChI=1S/C16H19NS2/c1-2-6-13(7-3-1)16(15-9-5-11-19-15)17-14-8-4-10-18-12-14/h1-3,5-7,9,11,14,16-17H,4,8,10,12H2
InChIKeyNKPYQXQFXSOAIP-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[phenyl(thiophen-2-yl)methyl]thian-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-[phenyl(thiophen-2-yl)methyl]thian-3-amine?
The IUPAC name of N-[phenyl(thiophen-2-yl)methyl]thian-3-amine (CID 62873455) is N-[phenyl(thiophen-2-yl)methyl]thian-3-amine.
What is the SMILES notation for N-[phenyl(thiophen-2-yl)methyl]thian-3-amine?
The canonical SMILES for N-[phenyl(thiophen-2-yl)methyl]thian-3-amine is c1ccc(C(NC2CCCSC2)c2cccs2)cc1.
What is the InChIKey of N-[phenyl(thiophen-2-yl)methyl]thian-3-amine?
The InChIKey is NKPYQXQFXSOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS2/c1-2-6-13(7-3-1)16(15-9-5-11-19-15)17-14-8-4-10-18-12-14/h1-3,5-7,9,11,14,16-17H,4,8,10,12H2.
What are the key properties of N-[phenyl(thiophen-2-yl)methyl]thian-3-amine?
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine has a molecular weight of 289.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(thiophen-2-yl)methyl]thian-3-amine is sourced from PubChem (CID 62873455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).