(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C20H32N4O4S — CID 125075199

IUPAC(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C20H32N4O4S/c1-22(2)29(26,27)24-8-4-7-19(16-24)20(25)21-14-17-5-3-6-18(13-17)15-23-9-11-28-12-10-23/h3,5-6,13,19H,4,7-12,14-16H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyYYFUJQOSYLMPBR-IBGZPJMESA-N
MW424.57 g/mol
LogP0.65
Rot. Bonds7

About (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 125075199) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID125075199
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C20H32N4O4S/c1-22(2)29(26,27)24-8-4-7-19(16-24)20(25)21-14-17-5-3-6-18(13-17)15-23-9-11-28-12-10-23/h3,5-6,13,19H,4,7-12,14-16H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyYYFUJQOSYLMPBR-IBGZPJMESA-N
XLogP0.65
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 125075199) is (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is YYFUJQOSYLMPBR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-22(2)29(26,27)24-8-4-7-19(16-24)20(25)21-14-17-5-3-6-18(13-17)15-23-9-11-28-12-10-23/h3,5-6,13,19H,4,7-12,14-16H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 125075199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).