1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine

C9H15N3OS — CID 106581393

IUPAC1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
SMILESCS(=O)CCNc1nccn1C1CC1
InChIInChI=1S/C9H15N3OS/c1-14(13)7-5-11-9-10-4-6-12(9)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3,(H,10,11)
InChIKeyPIJFNCXKAKBHJP-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.01
Rot. Bonds5

About 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine

1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine (PubChem CID 106581393) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
PubChem CID106581393
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
SMILESCS(=O)CCNc1nccn1C1CC1
InChIInChI=1S/C9H15N3OS/c1-14(13)7-5-11-9-10-4-6-12(9)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3,(H,10,11)
InChIKeyPIJFNCXKAKBHJP-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580270
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-cyclopentyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563475
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
1-cyclopentyl-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565073
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
1-cyclohexyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575828
N-(1-cyclopropylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565754
1-cyclopropyl-N-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580964
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine (CID 106581393) is 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine is CS(=O)CCNc1nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine?
The InChIKey is PIJFNCXKAKBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-14(13)7-5-11-9-10-4-6-12(9)8-2-3-8/h4,6,8H,2-3,5,7H2,1H3,(H,10,11).
What are the key properties of 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine?
1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine is sourced from PubChem (CID 106581393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).