4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide

C19H29N3O4S — CID 144925862

IUPAC4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NC3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-21(2)27(24,25)18-5-3-15(4-6-18)16-7-11-22(12-8-16)19(23)20-17-9-13-26-14-10-17/h3-6,16-17H,7-14H2,1-2H3,(H,20,23)
InChIKeyRPMXVRPNYHLGAB-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.00
Rot. Bonds4

About 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide

4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 144925862) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID144925862
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NC3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-21(2)27(24,25)18-5-3-15(4-6-18)16-7-11-22(12-8-16)19(23)20-17-9-13-26-14-10-17/h3-6,16-17H,7-14H2,1-2H3,(H,20,23)
InChIKeyRPMXVRPNYHLGAB-UHFFFAOYSA-N
XLogP2.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide
CID 131702845
4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
CID 128943193
4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide
CID 126784702
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110612150
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide
CID 119153369
N,N-dimethyl-4-(morpholin-4-ylamino)benzenesulfonamide
CID 83025680
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110607356
N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
CID 60807414

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide (CID 144925862) is 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NC3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is RPMXVRPNYHLGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-21(2)27(24,25)18-5-3-15(4-6-18)16-7-11-22(12-8-16)19(23)20-17-9-13-26-14-10-17/h3-6,16-17H,7-14H2,1-2H3,(H,20,23).
What are the key properties of 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 144925862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).