1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine

C10H19N3OS — CID 106580522

IUPAC1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CCCS(C)=O
InChIInChI=1S/C10H19N3OS/c1-9(2)12-10-11-5-7-13(10)6-4-8-15(3)14/h5,7,9H,4,6,8H2,1-3H3,(H,11,12)
InChIKeyJTYYVLXYFYTCKN-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.47
Rot. Bonds6

About 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine

1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106580522) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106580522
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1CCCS(C)=O
InChIInChI=1S/C10H19N3OS/c1-9(2)12-10-11-5-7-13(10)6-4-8-15(3)14/h5,7,9H,4,6,8H2,1-3H3,(H,11,12)
InChIKeyJTYYVLXYFYTCKN-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
CID 106581408
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106581922
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
1-(2-piperidin-1-ylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106567940
1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
CID 106564650
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine (CID 106580522) is 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1CCCS(C)=O.
What is the InChIKey of 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is JTYYVLXYFYTCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9(2)12-10-11-5-7-13(10)6-4-8-15(3)14/h5,7,9H,4,6,8H2,1-3H3,(H,11,12).
What are the key properties of 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine?
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106580522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).