(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide

C17H27N3O5S2 — CID 162365389

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC)C2)cc1
InChIInChI=1S/C17H27N3O5S2/c1-4-19(5-2)26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-6-7-14(13-20)17(21)18-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyCRLBZKFEDSFXRE-CQSZACIVSA-N
MW417.55 g/mol
LogP0.86
Rot. Bonds7

About (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 162365389) has the molecular formula C17H27N3O5S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID162365389
Molecular FormulaC17H27N3O5S2
Molecular Weight417.55 g/mol
Exact Mass417.14
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC)C2)cc1
InChIInChI=1S/C17H27N3O5S2/c1-4-19(5-2)26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-6-7-14(13-20)17(21)18-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyCRLBZKFEDSFXRE-CQSZACIVSA-N
XLogP0.86
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide (CID 162365389) is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC)C2)cc1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is CRLBZKFEDSFXRE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O5S2/c1-4-19(5-2)26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-6-7-14(13-20)17(21)18-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 162365389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).