1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine

C17H22BrNS2 — CID 66145067

IUPAC1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccsc1)CSc1ccccc1Br
InChIInChI=1S/C17H22BrNS2/c1-2-10-19-15(8-7-14-9-11-20-12-14)13-21-17-6-4-3-5-16(17)18/h3-6,9,11-12,15,19H,2,7-8,10,13H2,1H3
InChIKeyJWJYIRPTYVQDDK-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.60
Rot. Bonds9

About 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine

1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 66145067) has the molecular formula C17H22BrNS2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
PubChem CID66145067
Molecular FormulaC17H22BrNS2
Molecular Weight384.41 g/mol
Exact Mass383.04
IUPAC Name1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccsc1)CSc1ccccc1Br
InChIInChI=1S/C17H22BrNS2/c1-2-10-19-15(8-7-14-9-11-20-12-14)13-21-17-6-4-3-5-16(17)18/h3-6,9,11-12,15,19H,2,7-8,10,13H2,1H3
InChIKeyJWJYIRPTYVQDDK-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 66143893
1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-(2-bromophenyl)sulfanyl-N-propylhex-5-en-2-amine
CID 66142536
1-(2-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79186666
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 66144092
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79445979
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine (CID 66145067) is 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine is CCCNC(CCc1ccsc1)CSc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is JWJYIRPTYVQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS2/c1-2-10-19-15(8-7-14-9-11-20-12-14)13-21-17-6-4-3-5-16(17)18/h3-6,9,11-12,15,19H,2,7-8,10,13H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine?
1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 384.41 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-N-propyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 66145067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).