2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

C15H19NOS2 — CID 115632380

IUPAC2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESCCS(=O)CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NOS2/c1-2-19(17)9-8-16-11-15-10-14(12-18-15)13-6-4-3-5-7-13/h3-7,10,12,16H,2,8-9,11H2,1H3
InChIKeyCDKOHQBMFFJLED-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.27
Rot. Bonds7

About 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 115632380) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID115632380
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESCCS(=O)CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NOS2/c1-2-19(17)9-8-16-11-15-10-14(12-18-15)13-6-4-3-5-7-13/h3-7,10,12,16H,2,8-9,11H2,1H3
InChIKeyCDKOHQBMFFJLED-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
CID 54903997
N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
CID 54903925
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62844842
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 103081163
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 61036692

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (CID 115632380) is 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is CCS(=O)CCNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is CDKOHQBMFFJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-2-19(17)9-8-16-11-15-10-14(12-18-15)13-6-4-3-5-7-13/h3-7,10,12,16H,2,8-9,11H2,1H3.
What are the key properties of 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115632380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).