1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine

C16H20BrNS2 — CID 66054719

IUPAC1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(CSc2ccc(Br)cc2)NC)s1
InChIInChI=1S/C16H20BrNS2/c1-3-14-8-9-16(20-14)10-13(18-2)11-19-15-6-4-12(17)5-7-15/h4-9,13,18H,3,10-11H2,1-2H3
InChIKeyFRNQSGCFUKLPTL-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.00
Rot. Bonds7

About 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine

1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 66054719) has the molecular formula C16H20BrNS2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
PubChem CID66054719
Molecular FormulaC16H20BrNS2
Molecular Weight370.38 g/mol
Exact Mass369.02
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(CSc2ccc(Br)cc2)NC)s1
InChIInChI=1S/C16H20BrNS2/c1-3-14-8-9-16(20-14)10-13(18-2)11-19-15-6-4-12(17)5-7-15/h4-9,13,18H,3,10-11H2,1-2H3
InChIKeyFRNQSGCFUKLPTL-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 66054897
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
[1-(4-bromophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105192436
1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760889
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128497
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine (CID 66054719) is 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine is CCc1ccc(CC(CSc2ccc(Br)cc2)NC)s1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is FRNQSGCFUKLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS2/c1-3-14-8-9-16(20-14)10-13(18-2)11-19-15-6-4-12(17)5-7-15/h4-9,13,18H,3,10-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine?
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 370.38 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 66054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).