1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine

C15H17Cl2NS2 — CID 66139408

IUPAC1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(CSc1ccccc1Cl)Cc1ccc(Cl)s1
InChIInChI=1S/C15H17Cl2NS2/c1-2-18-11(9-12-7-8-15(17)20-12)10-19-14-6-4-3-5-13(14)16/h3-8,11,18H,2,9-10H2,1H3
InChIKeyZBMJOZNSJSXPPY-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.37
Rot. Bonds7

About 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine

1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine (PubChem CID 66139408) has the molecular formula C15H17Cl2NS2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
PubChem CID66139408
Molecular FormulaC15H17Cl2NS2
Molecular Weight346.35 g/mol
Exact Mass345.02
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(CSc1ccccc1Cl)Cc1ccc(Cl)s1
InChIInChI=1S/C15H17Cl2NS2/c1-2-18-11(9-12-7-8-15(17)20-12)10-19-14-6-4-3-5-13(14)16/h3-8,11,18H,2,9-10H2,1H3
InChIKeyZBMJOZNSJSXPPY-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228223

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine (CID 66139408) is 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine is CCNC(CSc1ccccc1Cl)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine?
The InChIKey is ZBMJOZNSJSXPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS2/c1-2-18-11(9-12-7-8-15(17)20-12)10-19-14-6-4-3-5-13(14)16/h3-8,11,18H,2,9-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine?
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine has a molecular weight of 346.35 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 66139408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).