1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine

C10H19N3O2S — CID 106574492

IUPAC1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
SMILESCCn1cc(C)nc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-5-13-6-8(2)11-10(13)12-9(3)7-16(4,14)15/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyMVQPCKDYRWJNGO-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.06
Rot. Bonds5

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

1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine (PubChem CID 106574492) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
PubChem CID106574492
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
SMILESCCn1cc(C)nc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-5-13-6-8(2)11-10(13)12-9(3)7-16(4,14)15/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyMVQPCKDYRWJNGO-UHFFFAOYSA-N
XLogP1.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine
CID 106564923
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
1-ethyl-4-methyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562046
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106568866
2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 106564821
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 66325292
4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
CID 106564935
1-ethyl-N-(2-methoxypropyl)-4-methylimidazol-2-amine
CID 106583458

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine (CID 106574492) is 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine is CCn1cc(C)nc1NC(C)CS(C)(=O)=O.
What is the InChIKey of 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine?
The InChIKey is MVQPCKDYRWJNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-13-6-8(2)11-10(13)12-9(3)7-16(4,14)15/h6,9H,5,7H2,1-4H3,(H,11,12).
What are the key properties of 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine?
1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106574492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).