N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine

C13H21NS2 — CID 102840644

IUPACN-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccsc1C
InChIInChI=1S/C13H21NS2/c1-10-12(5-8-16-10)13(14-2)9-11-3-6-15-7-4-11/h5,8,11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyCBYNRVXEGPPROC-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds4

About N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine

N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine (PubChem CID 102840644) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
PubChem CID102840644
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1ccsc1C
InChIInChI=1S/C13H21NS2/c1-10-12(5-8-16-10)13(14-2)9-11-3-6-15-7-4-11/h5,8,11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyCBYNRVXEGPPROC-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine 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-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(thian-4-yl)ethanamine
CID 102757909
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105115477
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105176539
N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
CID 105171945

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine (CID 102840644) is N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1ccsc1C.
What is the InChIKey of N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is CBYNRVXEGPPROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-10-12(5-8-16-10)13(14-2)9-11-3-6-15-7-4-11/h5,8,11,13-14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine?
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 102840644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).