N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine

C11H14N4O2S — CID 114598870

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCn1ccnc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-15-7-6-12-10(15)8-14-11-9(18(2,16)17)4-3-5-13-11/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyJLVKBBQFGGRVLD-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.83
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine

N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 114598870) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID114598870
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCn1ccnc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-15-7-6-12-10(15)8-14-11-9(18(2,16)17)4-3-5-13-11/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyJLVKBBQFGGRVLD-UHFFFAOYSA-N
XLogP0.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 114598698
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 106544213
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62351719
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
2-chloro-N-[(1-methylimidazol-2-yl)methyl]-5-methylsulfonylaniline
CID 55064722

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine (CID 114598870) is N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine is Cn1ccnc1CNc1ncccc1S(C)(=O)=O.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is JLVKBBQFGGRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15-7-6-12-10(15)8-14-11-9(18(2,16)17)4-3-5-13-11/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine?
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 266.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).