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

Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
Tifacogin
CID 961320
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylmethyl-amine
CID 10424083
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine;hydrochloride
CID 16192672
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854

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).