N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide

C12H25N3O3S — CID 41454256

IUPACN-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-5-8-13-12(16)11-6-9-15(10-7-11)19(17,18)14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyQQAYNQVZTHQSNB-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.42
Rot. Bonds6

About N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide

N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide (PubChem CID 41454256) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide
PubChem CID41454256
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-5-8-13-12(16)11-6-9-15(10-7-11)19(17,18)14(2)3/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyQQAYNQVZTHQSNB-UHFFFAOYSA-N
XLogP0.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 19872414
CID 19872414
CID 410920
CID 410920
CID 411689
CID 411689
CID 3603333
CID 3603333
CID 2186960
CID 2186960
CID 3239200
CID 3239200
CID 3245025
CID 3245025
CID 3245451
CID 3245451
CID 4673656
CID 4673656
CID 4295316
CID 4295316
CID 18474173
CID 18474173
CID 3235968
CID 3235968

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide (CID 41454256) is N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
The InChIKey is QQAYNQVZTHQSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-5-8-13-12(16)11-6-9-15(10-7-11)19(17,18)14(2)3/h11H,4-10H2,1-3H3,(H,13,16).
What are the key properties of N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide?
N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(dimethylsulfamoyl)piperidine-4-carboxamide is sourced from PubChem (CID 41454256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).