1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine

C10H16BrNS2 — CID 62691752

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS2/c1-3-12-9(7-13-2)5-10-4-8(11)6-14-10/h4,6,9,12H,3,5,7H2,1-2H3
InChIKeyPHZYZALLLALHEK-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine

1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine (PubChem CID 62691752) has the molecular formula C10H16BrNS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
PubChem CID62691752
Molecular FormulaC10H16BrNS2
Molecular Weight294.28 g/mol
Exact Mass292.99
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS2/c1-3-12-9(7-13-2)5-10-4-8(11)6-14-10/h4,6,9,12H,3,5,7H2,1-2H3
InChIKeyPHZYZALLLALHEK-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605541
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
CID 66161598
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093811
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
1-(4-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-propylpropan-2-amine
CID 115847659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine (CID 62691752) is 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine is CCNC(CSC)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The InChIKey is PHZYZALLLALHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS2/c1-3-12-9(7-13-2)5-10-4-8(11)6-14-10/h4,6,9,12H,3,5,7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine has a molecular weight of 294.28 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62691752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).