1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C20H31N3O3S — CID 3236220

IUPAC1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H31N3O3S/c1-3-22(4-2)27(25,26)23-14-12-17(13-15-23)20(24)21-19-11-7-9-16-8-5-6-10-18(16)19/h5-6,8,10,17,19H,3-4,7,9,11-15H2,1-2H3,(H,21,24)
InChIKeyKAVRAJNLYAUVDZ-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.48
Rot. Bonds6

About 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 3236220) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID3236220
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H31N3O3S/c1-3-22(4-2)27(25,26)23-14-12-17(13-15-23)20(24)21-19-11-7-9-16-8-5-6-10-18(16)19/h5-6,8,10,17,19H,3-4,7,9,11-15H2,1-2H3,(H,21,24)
InChIKeyKAVRAJNLYAUVDZ-UHFFFAOYSA-N
XLogP2.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 3236220) is 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is CCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is KAVRAJNLYAUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-3-22(4-2)27(25,26)23-14-12-17(13-15-23)20(24)21-19-11-7-9-16-8-5-6-10-18(16)19/h5-6,8,10,17,19H,3-4,7,9,11-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3236220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).