1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine

C11H18BrNS2 — CID 65132986

IUPAC1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine
SMILESCC(C)(C)SCC(N)Cc1sccc1Br
InChIInChI=1S/C11H18BrNS2/c1-11(2,3)15-7-8(13)6-10-9(12)4-5-14-10/h4-5,8H,6-7,13H2,1-3H3
InChIKeyOJNUDIXKUHXCPQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.91
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine (PubChem CID 65132986) has the molecular formula C11H18BrNS2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine
PubChem CID65132986
Molecular FormulaC11H18BrNS2
Molecular Weight308.31 g/mol
Exact Mass307.01
IUPAC Name1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine
SMILESCC(C)(C)SCC(N)Cc1sccc1Br
InChIInChI=1S/C11H18BrNS2/c1-11(2,3)15-7-8(13)6-10-9(12)4-5-14-10/h4-5,8H,6-7,13H2,1-3H3
InChIKeyOJNUDIXKUHXCPQ-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
1-(3-bromo-4-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132326
[1-(3-bromothiophen-2-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274525
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061
1-(3-bromothiophen-2-yl)-5-phenylpentan-2-amine
CID 105139457
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
1-(3-bromothiophen-2-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79055943
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine (CID 65132986) is 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine is CC(C)(C)SCC(N)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine?
The InChIKey is OJNUDIXKUHXCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS2/c1-11(2,3)15-7-8(13)6-10-9(12)4-5-14-10/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine has a molecular weight of 308.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine is sourced from PubChem (CID 65132986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).