(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol

C19H27N3O3S — CID 99802859

IUPAC(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-14(2)13-15-3-5-17(6-4-15)26(24,25)22-11-7-16(8-12-22)18(23)19-20-9-10-21-19/h3-6,9-10,14,16,18,23H,7-8,11-13H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyRWMNMNBVTHQGFG-GOSISDBHSA-N
MW377.51 g/mol
LogP2.74
Rot. Bonds6

About (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol

(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol (PubChem CID 99802859) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol
PubChem CID99802859
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-14(2)13-15-3-5-17(6-4-15)26(24,25)22-11-7-16(8-12-22)18(23)19-20-9-10-21-19/h3-6,9-10,14,16,18,23H,7-8,11-13H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyRWMNMNBVTHQGFG-GOSISDBHSA-N
XLogP2.74
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The IUPAC name of (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol (CID 99802859) is (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol is CC(C)Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1.
What is the InChIKey of (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The InChIKey is RWMNMNBVTHQGFG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-14(2)13-15-3-5-17(6-4-15)26(24,25)22-11-7-16(8-12-22)18(23)19-20-9-10-21-19/h3-6,9-10,14,16,18,23H,7-8,11-13H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol?
(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol has a molecular weight of 377.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 99802859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).