1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine

C10H18N4O2S — CID 63979630

IUPAC1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine
SMILESCC1CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C10H18N4O2S/c1-8-3-5-14(6-4-8)17(15,16)10-9(11)12-7-13(10)2/h7-8H,3-6,11H2,1-2H3
InChIKeyNGGIIVAECMEGOQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.42
Rot. Bonds2

About 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine

1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine (PubChem CID 63979630) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine
PubChem CID63979630
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine
SMILESCC1CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C10H18N4O2S/c1-8-3-5-14(6-4-8)17(15,16)10-9(11)12-7-13(10)2/h7-8H,3-6,11H2,1-2H3
InChIKeyNGGIIVAECMEGOQ-UHFFFAOYSA-N
XLogP0.42
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine?
The IUPAC name of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine (CID 63979630) is 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine.
What is the SMILES notation for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine?
The canonical SMILES for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine is CC1CCN(S(=O)(=O)c2c(N)ncn2C)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine?
The InChIKey is NGGIIVAECMEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-3-5-14(6-4-8)17(15,16)10-9(11)12-7-13(10)2/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine?
1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine has a molecular weight of 258.35 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine is sourced from PubChem (CID 63979630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).