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

C12H23N3OS — CID 107444361

IUPAC3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CC(C)S(C)=O
InChIInChI=1S/C12H23N3OS/c1-9(2)11(5-13)12-6-14-8-15(12)7-10(3)17(4)16/h6,8-11H,5,7,13H2,1-4H3
InChIKeyUGQFCZVGLSHZMS-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.35
Rot. Bonds6

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

3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine (PubChem CID 107444361) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
PubChem CID107444361
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1cncn1CC(C)S(C)=O
InChIInChI=1S/C12H23N3OS/c1-9(2)11(5-13)12-6-14-8-15(12)7-10(3)17(4)16/h6,8-11H,5,7,13H2,1-4H3
InChIKeyUGQFCZVGLSHZMS-UHFFFAOYSA-N
XLogP1.35
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
[3-(2-methylsulfinylpropyl)imidazol-4-yl]-phenylmethanamine
CID 114707566
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
CID 107444292
3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 106422452
tert-butyl N-[1-[3-(2-methylsulfinylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114707567
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine (CID 107444361) is 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine is CC(C)C(CN)c1cncn1CC(C)S(C)=O.
What is the InChIKey of 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine?
The InChIKey is UGQFCZVGLSHZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-9(2)11(5-13)12-6-14-8-15(12)7-10(3)17(4)16/h6,8-11H,5,7,13H2,1-4H3.
What are the key properties of 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 107444361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).