6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide

C16H23N5O3S — CID 133395896

IUPAC6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C(O)c3nccn3C)CC2)nc1
InChIInChI=1S/C16H23N5O3S/c1-17-25(23,24)13-3-4-14(19-11-13)21-8-5-12(6-9-21)15(22)16-18-7-10-20(16)2/h3-4,7,10-12,15,17,22H,5-6,8-9H2,1-2H3
InChIKeyYMQPTPSBVSEWOI-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.67
Rot. Bonds5

About 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide

6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 133395896) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID133395896
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C(O)c3nccn3C)CC2)nc1
InChIInChI=1S/C16H23N5O3S/c1-17-25(23,24)13-3-4-14(19-11-13)21-8-5-12(6-9-21)15(22)16-18-7-10-20(16)2/h3-4,7,10-12,15,17,22H,5-6,8-9H2,1-2H3
InChIKeyYMQPTPSBVSEWOI-UHFFFAOYSA-N
XLogP0.67
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide (CID 133395896) is 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCC(C(O)c3nccn3C)CC2)nc1.
What is the InChIKey of 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is YMQPTPSBVSEWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-17-25(23,24)13-3-4-14(19-11-13)21-8-5-12(6-9-21)15(22)16-18-7-10-20(16)2/h3-4,7,10-12,15,17,22H,5-6,8-9H2,1-2H3.
What are the key properties of 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133395896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).