1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine

C12H20BrNS2 — CID 105134525

IUPAC1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNS2/c1-3-7-14-10(6-8-15-2)9-11-4-5-12(13)16-11/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeySRSCLLLSMPHAMK-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.17
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine

1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine (PubChem CID 105134525) has the molecular formula C12H20BrNS2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
PubChem CID105134525
Molecular FormulaC12H20BrNS2
Molecular Weight322.34 g/mol
Exact Mass321.02
IUPAC Name1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNS2/c1-3-7-14-10(6-8-15-2)9-11-4-5-12(13)16-11/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeySRSCLLLSMPHAMK-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295733
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546567
1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
CID 65149397
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105172057
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
1-(5-bromothiophen-2-yl)-3-(4-chlorophenoxy)-N-propylpropan-2-amine
CID 105134904

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine (CID 105134525) is 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine is CCCNC(CCSC)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine?
The InChIKey is SRSCLLLSMPHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS2/c1-3-7-14-10(6-8-15-2)9-11-4-5-12(13)16-11/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine?
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine has a molecular weight of 322.34 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 105134525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).