N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine

C13H21NS2 — CID 105137524

IUPACN-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)CC1CCSCC1
InChIInChI=1S/C13H21NS2/c1-14-13(9-12-4-7-16-10-12)8-11-2-5-15-6-3-11/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyUGIVYCCHGGLBDR-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.41
Rot. Bonds5

About N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine

N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105137524) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105137524
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)CC1CCSCC1
InChIInChI=1S/C13H21NS2/c1-14-13(9-12-4-7-16-10-12)8-11-2-5-15-6-3-11/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyUGIVYCCHGGLBDR-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-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

1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105085436
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105137616
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105095850
(1-cyclobutyl-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105310141
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166920
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
CID 65423218
N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105169149
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
CID 105097810
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine (CID 105137524) is N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine is CNC(Cc1ccsc1)CC1CCSCC1.
What is the InChIKey of N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is UGIVYCCHGGLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-14-13(9-12-4-7-16-10-12)8-11-2-5-15-6-3-11/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine?
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105137524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).