1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine

C11H18ClNS2 — CID 65128398

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
SMILESCCNC(CSCC)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS2/c1-3-13-9(8-14-4-2)7-10-5-6-11(12)15-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyNFOKGMCPEGIZDA-UHFFFAOYSA-N
MW263.86 g/mol
LogP3.68
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine (PubChem CID 65128398) has the molecular formula C11H18ClNS2 and a molecular weight of 263.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
PubChem CID65128398
Molecular FormulaC11H18ClNS2
Molecular Weight263.86 g/mol
Exact Mass263.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
SMILESCCNC(CSCC)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS2/c1-3-13-9(8-14-4-2)7-10-5-6-11(12)15-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyNFOKGMCPEGIZDA-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine (CID 65128398) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine is CCNC(CSCC)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
The InChIKey is NFOKGMCPEGIZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS2/c1-3-13-9(8-14-4-2)7-10-5-6-11(12)15-10/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine has a molecular weight of 263.86 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 65128398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).