N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine

C16H21NOS2 — CID 64653013

IUPACN-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
SMILESCCNC(CS(=O)c1cccs1)c1ccc(CC)cc1
InChIInChI=1S/C16H21NOS2/c1-3-13-7-9-14(10-8-13)15(17-4-2)12-20(18)16-6-5-11-19-16/h5-11,15,17H,3-4,12H2,1-2H3
InChIKeyUUPMFMVBXVICAO-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.77
Rot. Bonds7

About N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine

N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine (PubChem CID 64653013) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
PubChem CID64653013
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC NameN-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
SMILESCCNC(CS(=O)c1cccs1)c1ccc(CC)cc1
InChIInChI=1S/C16H21NOS2/c1-3-13-7-9-14(10-8-13)15(17-4-2)12-20(18)16-6-5-11-19-16/h5-11,15,17H,3-4,12H2,1-2H3
InChIKeyUUPMFMVBXVICAO-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 109379632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine (CID 64653013) is N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine is CCNC(CS(=O)c1cccs1)c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine?
The InChIKey is UUPMFMVBXVICAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c1-3-13-7-9-14(10-8-13)15(17-4-2)12-20(18)16-6-5-11-19-16/h5-11,15,17H,3-4,12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine?
N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine has a molecular weight of 307.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine is sourced from PubChem (CID 64653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).