3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine

C11H21N3OS — CID 114707663

IUPAC3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1CCS(C)=O
InChIInChI=1S/C11H21N3OS/c1-9(2)6-10(12)11-7-13-8-14(11)4-5-16(3)15/h7-10H,4-6,12H2,1-3H3
InChIKeyBFJSSNYOZGGRLA-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.31
Rot. Bonds6

About 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine (PubChem CID 114707663) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
PubChem CID114707663
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1CCS(C)=O
InChIInChI=1S/C11H21N3OS/c1-9(2)6-10(12)11-7-13-8-14(11)4-5-16(3)15/h7-10H,4-6,12H2,1-3H3
InChIKeyBFJSSNYOZGGRLA-UHFFFAOYSA-N
XLogP1.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]butan-1-amine
CID 114706133
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
1-[3-[2-(1H-imidazol-2-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707899
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707362
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114707206
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506
1-[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114703180
1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707725
2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine
CID 114707669
3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
CID 114705901
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine (CID 114707663) is 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1CCS(C)=O.
What is the InChIKey of 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine?
The InChIKey is BFJSSNYOZGGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)6-10(12)11-7-13-8-14(11)4-5-16(3)15/h7-10H,4-6,12H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114707663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).