1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine

C13H23N3OS — CID 106581063

IUPAC1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NCC(C)S(C)=O)n1
InChIInChI=1S/C13H23N3OS/c1-10-9-16(12-6-4-5-7-12)13(15-10)14-8-11(2)18(3)17/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyCUSLKWIBJLNERO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.49
Rot. Bonds5

About 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine

1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106581063) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106581063
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NCC(C)S(C)=O)n1
InChIInChI=1S/C13H23N3OS/c1-10-9-16(12-6-4-5-7-12)13(15-10)14-8-11(2)18(3)17/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyCUSLKWIBJLNERO-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclopentyl-4-methyl-N-(2-piperidin-1-ylpropyl)imidazol-2-amine
CID 106567951
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine
CID 106581012
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-cyclopropyl-4-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 106579397
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106574917

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine (CID 106581063) is 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine is Cc1cn(C2CCCC2)c(NCC(C)S(C)=O)n1.
What is the InChIKey of 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is CUSLKWIBJLNERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-9-16(12-6-4-5-7-12)13(15-10)14-8-11(2)18(3)17/h9,11-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine?
1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).