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

C12H19NS2 — CID 105153997

IUPACN-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
SMILESCNC(CC1CCSCC1)c1ccsc1
InChIInChI=1S/C12H19NS2/c1-13-12(11-4-7-15-9-11)8-10-2-5-14-6-3-10/h4,7,9-10,12-13H,2-3,5-6,8H2,1H3
InChIKeyMPNGWXSEADLMHO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.54
Rot. Bonds4

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

N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine (PubChem CID 105153997) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
PubChem CID105153997
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC NameN-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
SMILESCNC(CC1CCSCC1)c1ccsc1
InChIInChI=1S/C12H19NS2/c1-13-12(11-4-7-15-9-11)8-10-2-5-14-6-3-10/h4,7,9-10,12-13H,2-3,5-6,8H2,1H3
InChIKeyMPNGWXSEADLMHO-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105188443
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-thiophen-3-ylethanamine
CID 66418209
[2-(oxan-4-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196721
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine (CID 105153997) is N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine is CNC(CC1CCSCC1)c1ccsc1.
What is the InChIKey of N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine?
The InChIKey is MPNGWXSEADLMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-13-12(11-4-7-15-9-11)8-10-2-5-14-6-3-10/h4,7,9-10,12-13H,2-3,5-6,8H2,1H3.
What are the key properties of N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine?
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 105153997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).