4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline

C15H19NS2 — CID 83961211

IUPAC4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
SMILESCCSCc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C15H19NS2/c1-2-17-12-13-5-7-14(8-6-13)16-10-9-15-4-3-11-18-15/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyOOQCVUUKNNXSMP-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.66
Rot. Bonds7

About 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline

4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 83961211) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
PubChem CID83961211
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC Name4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
SMILESCCSCc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C15H19NS2/c1-2-17-12-13-5-7-14(8-6-13)16-10-9-15-4-3-11-18-15/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyOOQCVUUKNNXSMP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 43453843
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
4-(difluoromethylsulfonyl)-N-(2-thiophen-2-ylethyl)aniline
CID 43455311
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
CID 83961206

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline (CID 83961211) is 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline is CCSCc1ccc(NCCc2cccs2)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is OOQCVUUKNNXSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-2-17-12-13-5-7-14(8-6-13)16-10-9-15-4-3-11-18-15/h3-8,11,16H,2,9-10,12H2,1H3.
What are the key properties of 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline?
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 277.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 83961211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).