N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine

C9H17N3OS — CID 106581380

IUPACN-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CCS(C)=O
InChIInChI=1S/C9H17N3OS/c1-4-10-9-11-8(2)7-12(9)5-6-14(3)13/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVZWCHPMBCLRHBE-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine

N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine (PubChem CID 106581380) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
PubChem CID106581380
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CCS(C)=O
InChIInChI=1S/C9H17N3OS/c1-4-10-9-11-8(2)7-12(9)5-6-14(3)13/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVZWCHPMBCLRHBE-UHFFFAOYSA-N
XLogP1.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
CID 106581398
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581055
1-(2,2-dimethylpropyl)-N-ethyl-4-methylimidazol-2-amine
CID 106563656
N-ethyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579122
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580537
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-ethyl-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106573703
1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
CID 106580467
N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580263
1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine
CID 106574098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine (CID 106581380) is N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine is CCNc1nc(C)cn1CCS(C)=O.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine?
The InChIKey is VZWCHPMBCLRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-10-9-11-8(2)7-12(9)5-6-14(3)13/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine?
N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine has a molecular weight of 215.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine is sourced from PubChem (CID 106581380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).