N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine

C14H25N3OS — CID 106582432

IUPACN-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
SMILESCC(CCS(C)=O)n1ccnc1NC1CCCCC1
InChIInChI=1S/C14H25N3OS/c1-12(8-11-19(2)18)17-10-9-15-14(17)16-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyHGBKRRVTOVSIEK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.96
Rot. Bonds6

About N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine

N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine (PubChem CID 106582432) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
PubChem CID106582432
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
SMILESCC(CCS(C)=O)n1ccnc1NC1CCCCC1
InChIInChI=1S/C14H25N3OS/c1-12(8-11-19(2)18)17-10-9-15-14(17)16-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyHGBKRRVTOVSIEK-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine (CID 106582432) is N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine is CC(CCS(C)=O)n1ccnc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine?
The InChIKey is HGBKRRVTOVSIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-12(8-11-19(2)18)17-10-9-15-14(17)16-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,15,16).
What are the key properties of N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine?
N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106582432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).