N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine

C10H17N3OS — CID 106580550

IUPACN-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
SMILESCS(=O)CCCn1ccnc1NC1CC1
InChIInChI=1S/C10H17N3OS/c1-15(14)8-2-6-13-7-5-11-10(13)12-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)
InChIKeyZFZJFUIKBYNLOC-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.23
Rot. Bonds6

About N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine

N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106580550) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106580550
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
SMILESCS(=O)CCCn1ccnc1NC1CC1
InChIInChI=1S/C10H17N3OS/c1-15(14)8-2-6-13-7-5-11-10(13)12-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,12)
InChIKeyZFZJFUIKBYNLOC-UHFFFAOYSA-N
XLogP1.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580522
N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580537
1-(3-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
N-(4-ethylcyclohexyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564321
N-cyclopropyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557493
N-cyclopropyl-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-2-amine
CID 106581900
N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine
CID 106561587
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581825
1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
CID 106566481
N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
CID 106582432

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine (CID 106580550) is N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine is CS(=O)CCCn1ccnc1NC1CC1.
What is the InChIKey of N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is ZFZJFUIKBYNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-15(14)8-2-6-13-7-5-11-10(13)12-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,11,12).
What are the key properties of N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine?
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).