4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine

C11H21N3O2S — CID 106574476

IUPAC4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-5-6-14-7-9(2)12-11(14)13-10(3)8-17(4,15)16/h7,10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyDNEMLPSYVXNNAN-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.45
Rot. Bonds6

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

4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine (PubChem CID 106574476) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
PubChem CID106574476
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-5-6-14-7-9(2)12-11(14)13-10(3)8-17(4,15)16/h7,10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyDNEMLPSYVXNNAN-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
CID 106574492
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine
CID 106571864
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809
N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106568866
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine
CID 106567157
4-methyl-1-propyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 106570913
4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
CID 106564935
N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine
CID 115926037
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581332

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine (CID 106574476) is 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine is CCCn1cc(C)nc1NC(C)CS(C)(=O)=O.
What is the InChIKey of 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine?
The InChIKey is DNEMLPSYVXNNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-6-14-7-9(2)12-11(14)13-10(3)8-17(4,15)16/h7,10H,5-6,8H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine?
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine has a molecular weight of 259.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106574476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).