N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine

C10H16BrNS2 — CID 115639975

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1csc(Br)c1
InChIInChI=1S/C10H16BrNS2/c1-8(3-4-13-2)12-6-9-5-10(11)14-7-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyZYOIOHYWUIZUBC-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.74
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine

N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115639975) has the molecular formula C10H16BrNS2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
PubChem CID115639975
Molecular FormulaC10H16BrNS2
Molecular Weight294.28 g/mol
Exact Mass292.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1csc(Br)c1
InChIInChI=1S/C10H16BrNS2/c1-8(3-4-13-2)12-6-9-5-10(11)14-7-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyZYOIOHYWUIZUBC-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
CID 115709425
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 113477091
N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 54864200
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
2-bromo-4-(methylsulfanylmethyl)thiophene
CID 130987828
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115750427

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine (CID 115639975) is N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is ZYOIOHYWUIZUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS2/c1-8(3-4-13-2)12-6-9-5-10(11)14-7-9/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 294.28 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115639975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).