N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine

C9H14BrNOS2 — CID 115764037

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1csc(Br)c1)S(C)=O
InChIInChI=1S/C9H14BrNOS2/c1-7(14(2)12)4-11-5-8-3-9(10)13-6-8/h3,6-7,11H,4-5H2,1-2H3
InChIKeyMTVOWVAELRSISN-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.37
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115764037) has the molecular formula C9H14BrNOS2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115764037
Molecular FormulaC9H14BrNOS2
Molecular Weight296.25 g/mol
Exact Mass294.97
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1csc(Br)c1)S(C)=O
InChIInChI=1S/C9H14BrNOS2/c1-7(14(2)12)4-11-5-8-3-9(10)13-6-8/h3,6-7,11H,4-5H2,1-2H3
InChIKeyMTVOWVAELRSISN-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[(5-bromothiophen-3-yl)methyl]-2-ethylsulfinylethanamine
CID 115632267
1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
CID 115623310
1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43432080
2-[(5-bromothiophen-3-yl)methylamino]acetonitrile
CID 130688668
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
CID 43646902
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764049
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
3-[(5-bromothiophen-3-yl)methylamino]-N-butan-2-ylpropanamide
CID 54893334
N-[(5-bromothiophen-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020534

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine (CID 115764037) is N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine is CC(CNCc1csc(Br)c1)S(C)=O.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is MTVOWVAELRSISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS2/c1-7(14(2)12)4-11-5-8-3-9(10)13-6-8/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 2.37, 5 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]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115764037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).