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

C11H19N3OS — CID 106580270

IUPAC1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine
SMILESCC(CCNc1nccn1C1CC1)S(C)=O
InChIInChI=1S/C11H19N3OS/c1-9(16(2)15)5-6-12-11-13-7-8-14(11)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeyHHDLDLLEFAUNSB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.79
Rot. Bonds6

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

1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine (PubChem CID 106580270) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine
PubChem CID106580270
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine
SMILESCC(CCNc1nccn1C1CC1)S(C)=O
InChIInChI=1S/C11H19N3OS/c1-9(16(2)15)5-6-12-11-13-7-8-14(11)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeyHHDLDLLEFAUNSB-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine (CID 106580270) is 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine is CC(CCNc1nccn1C1CC1)S(C)=O.
What is the InChIKey of 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine?
The InChIKey is HHDLDLLEFAUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(16(2)15)5-6-12-11-13-7-8-14(11)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine?
1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-methylsulfinylbutyl)imidazol-2-amine is sourced from PubChem (CID 106580270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).