N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine

C7H13N3O2S — CID 106574462

IUPACN-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine
SMILESCC(CS(C)(=O)=O)Nc1ncc[nH]1
InChIInChI=1S/C7H13N3O2S/c1-6(5-13(2,11)12)10-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10)
InChIKeyIMLHHURVRWJHQX-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.25
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine

N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine (PubChem CID 106574462) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine
PubChem CID106574462
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine
SMILESCC(CS(C)(=O)=O)Nc1ncc[nH]1
InChIInChI=1S/C7H13N3O2S/c1-6(5-13(2,11)12)10-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10)
InChIKeyIMLHHURVRWJHQX-UHFFFAOYSA-N
XLogP0.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylsulfonylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657583
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
CID 106582182
N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
CID 106571848
3-chloro-N-(1H-imidazol-2-yl)-2-methylpropane-1-sulfonamide
CID 79586328
N-(propan-2-ylsulfamoyl)-1H-imidazol-2-amine
CID 114810099
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80843830
N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine
CID 10948632
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
N-(ethylsulfonimidoyl)-1H-imidazol-2-amine
CID 164657237

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine (CID 106574462) is N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine is CC(CS(C)(=O)=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine?
The InChIKey is IMLHHURVRWJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6(5-13(2,11)12)10-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine?
N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine has a molecular weight of 203.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106574462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).