5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine

C10H18N4O2S — CID 79993396

IUPAC5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine
SMILESCc1ncc(S(=O)(=O)N2CC(C)CC(N)C2)[nH]1
InChIInChI=1S/C10H18N4O2S/c1-7-3-9(11)6-14(5-7)17(15,16)10-4-12-8(2)13-10/h4,7,9H,3,5-6,11H2,1-2H3,(H,12,13)
InChIKeyIYNSJHRYXLFKKO-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.08
Rot. Bonds2

About 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine

5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine (PubChem CID 79993396) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine
PubChem CID79993396
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine
SMILESCc1ncc(S(=O)(=O)N2CC(C)CC(N)C2)[nH]1
InChIInChI=1S/C10H18N4O2S/c1-7-3-9(11)6-14(5-7)17(15,16)10-4-12-8(2)13-10/h4,7,9H,3,5-6,11H2,1-2H3,(H,12,13)
InChIKeyIYNSJHRYXLFKKO-UHFFFAOYSA-N
XLogP0.08
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine (CID 79993396) is 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine is Cc1ncc(S(=O)(=O)N2CC(C)CC(N)C2)[nH]1.
What is the InChIKey of 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine?
The InChIKey is IYNSJHRYXLFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-3-9(11)6-14(5-7)17(15,16)10-4-12-8(2)13-10/h4,7,9H,3,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine?
5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine has a molecular weight of 258.35 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-3-amine is sourced from PubChem (CID 79993396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).