2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

C13H17NOS3 — CID 115763952

IUPAC2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCC(CNCc1cc(-c2cccs2)cs1)S(C)=O
InChIInChI=1S/C13H17NOS3/c1-10(18(2)15)7-14-8-12-6-11(9-17-12)13-4-3-5-16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyCHNQLHPTAKVPCQ-UHFFFAOYSA-N
MW299.49 g/mol
LogP3.33
Rot. Bonds6

About 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 115763952) has the molecular formula C13H17NOS3 and a molecular weight of 299.49 g/mol. Its IUPAC name is 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID115763952
Molecular FormulaC13H17NOS3
Molecular Weight299.49 g/mol
Exact Mass299.05
IUPAC Name2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCC(CNCc1cc(-c2cccs2)cs1)S(C)=O
InChIInChI=1S/C13H17NOS3/c1-10(18(2)15)7-14-8-12-6-11(9-17-12)13-4-3-5-16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyCHNQLHPTAKVPCQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 112727524
3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol
CID 103707851
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
(1R)-1-(3-fluorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81369744
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 115763952) is 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is CC(CNCc1cc(-c2cccs2)cs1)S(C)=O.
What is the InChIKey of 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is CHNQLHPTAKVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS3/c1-10(18(2)15)7-14-8-12-6-11(9-17-12)13-4-3-5-16-13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 299.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115763952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).