5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine

C11H20N4O3S — CID 102955222

IUPAC5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
SMILESCOC1CN(S(=O)(=O)c2c(N)ncn2C)CCC1C
InChIInChI=1S/C11H20N4O3S/c1-8-4-5-15(6-9(8)18-3)19(16,17)11-10(12)13-7-14(11)2/h7-9H,4-6,12H2,1-3H3
InChIKeyMLPVJCQASJQHCK-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.05
Rot. Bonds3

About 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine

5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine (PubChem CID 102955222) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
PubChem CID102955222
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
SMILESCOC1CN(S(=O)(=O)c2c(N)ncn2C)CCC1C
InChIInChI=1S/C11H20N4O3S/c1-8-4-5-15(6-9(8)18-3)19(16,17)11-10(12)13-7-14(11)2/h7-9H,4-6,12H2,1-3H3
InChIKeyMLPVJCQASJQHCK-UHFFFAOYSA-N
XLogP0.05
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine
CID 63979630
1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
CID 114542823
1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine
CID 63980020
[1-(5-amino-3-methylimidazol-4-yl)sulfonylazetidin-3-yl]methanol
CID 107213097
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 102955246
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103302177
1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 63978094
1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 63978894
1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine
CID 114407682
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 102964531

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine?
The IUPAC name of 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine (CID 102955222) is 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine.
What is the SMILES notation for 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine?
The canonical SMILES for 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine is COC1CN(S(=O)(=O)c2c(N)ncn2C)CCC1C.
What is the InChIKey of 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine?
The InChIKey is MLPVJCQASJQHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-4-5-15(6-9(8)18-3)19(16,17)11-10(12)13-7-14(11)2/h7-9H,4-6,12H2,1-3H3.
What are the key properties of 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine?
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine has a molecular weight of 288.37 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine is sourced from PubChem (CID 102955222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).