1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol

C9H16N4O3S — CID 63977524

IUPAC1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol
SMILESCn1cnc(N)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C9H16N4O3S/c1-12-6-11-8(10)9(12)17(15,16)13-4-2-7(14)3-5-13/h6-7,14H,2-5,10H2,1H3
InChIKeyGOKGMNXCLKFKFO-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.85
Rot. Bonds2

About 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol

1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol (PubChem CID 63977524) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol
PubChem CID63977524
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol
SMILESCn1cnc(N)c1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C9H16N4O3S/c1-12-6-11-8(10)9(12)17(15,16)13-4-2-7(14)3-5-13/h6-7,14H,2-5,10H2,1H3
InChIKeyGOKGMNXCLKFKFO-UHFFFAOYSA-N
XLogP-0.85
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol (CID 63977524) is 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol is Cn1cnc(N)c1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol?
The InChIKey is GOKGMNXCLKFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-12-6-11-8(10)9(12)17(15,16)13-4-2-7(14)3-5-13/h6-7,14H,2-5,10H2,1H3.
What are the key properties of 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol?
1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol has a molecular weight of 260.32 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methylimidazol-4-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 63977524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).