N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide

C14H29N3O3S — CID 4136250

IUPACN-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C14H29N3O3S/c1-5-12(4)15-14(18)13-8-10-17(11-9-13)21(19,20)16(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyLXILGLXZHIECNK-UHFFFAOYSA-N
MW319.47 g/mol
LogP1.20
Rot. Bonds7

About N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide

N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide (PubChem CID 4136250) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
PubChem CID4136250
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C14H29N3O3S/c1-5-12(4)15-14(18)13-8-10-17(11-9-13)21(19,20)16(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyLXILGLXZHIECNK-UHFFFAOYSA-N
XLogP1.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
1-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 131955942
N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 93068990
N-(2-methylpentan-3-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47418589
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 20968188
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide (CID 4136250) is N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is LXILGLXZHIECNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-5-12(4)15-14(18)13-8-10-17(11-9-13)21(19,20)16(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,15,18).
What are the key properties of N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide?
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 4136250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).