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

C14H15Br2NS2 — CID 66056486

IUPAC1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(Br)cc1)Cc1sccc1Br
InChIInChI=1S/C14H15Br2NS2/c1-17-11(8-14-13(16)6-7-18-14)9-19-12-4-2-10(15)3-5-12/h2-7,11,17H,8-9H2,1H3
InChIKeyWBFLYBJVODFRTQ-UHFFFAOYSA-N
MW421.22 g/mol
LogP5.20
Rot. Bonds6

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

1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 66056486) has the molecular formula C14H15Br2NS2 and a molecular weight of 421.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID66056486
Molecular FormulaC14H15Br2NS2
Molecular Weight421.22 g/mol
Exact Mass418.90
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(Br)cc1)Cc1sccc1Br
InChIInChI=1S/C14H15Br2NS2/c1-17-11(8-14-13(16)6-7-18-14)9-19-12-4-2-10(15)3-5-12/h2-7,11,17H,8-9H2,1H3
InChIKeyWBFLYBJVODFRTQ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.22
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 66054719
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62601306
1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115849229
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760889
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824156
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
3-bromo-2-[(4-propan-2-ylphenyl)sulfanylmethyl]thiophene
CID 63458411

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine (CID 66056486) is 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine is CNC(CSc1ccc(Br)cc1)Cc1sccc1Br.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is WBFLYBJVODFRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS2/c1-17-11(8-14-13(16)6-7-18-14)9-19-12-4-2-10(15)3-5-12/h2-7,11,17H,8-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 421.22 g/mol, XLogP of 5.20, 6 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-(3-bromothiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 66056486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).