1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide

C19H39N3O4S — CID 3239925

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C19H39N3O4S/c1-6-26-13-7-10-20-19(23)18-8-11-21(12-9-18)27(24,25)22(14-16(2)3)15-17(4)5/h16-18H,6-15H2,1-5H3,(H,20,23)
InChIKeyGFNFCKXMBRCZGG-UHFFFAOYSA-N
MW405.61 g/mol
LogP2.10
Rot. Bonds12

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 3239925) has the molecular formula C19H39N3O4S and a molecular weight of 405.61 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID3239925
Molecular FormulaC19H39N3O4S
Molecular Weight405.61 g/mol
Exact Mass405.27
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C19H39N3O4S/c1-6-26-13-7-10-20-19(23)18-8-11-21(12-9-18)27(24,25)22(14-16(2)3)15-17(4)5/h16-18H,6-15H2,1-5H3,(H,20,23)
InChIKeyGFNFCKXMBRCZGG-UHFFFAOYSA-N
XLogP2.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3603333
N-(3-isopropoxypropyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 5123175
N-(3-ethoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235671
N-(3-ethoxypropyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236383
N-(3-ethoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236874
N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
N-butyl-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 4412492
N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 16770022
1-[(diisobutylamino)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241773
N-(3-isopropoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245385
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241542
1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 3244851

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 3239925) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is GFNFCKXMBRCZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O4S/c1-6-26-13-7-10-20-19(23)18-8-11-21(12-9-18)27(24,25)22(14-16(2)3)15-17(4)5/h16-18H,6-15H2,1-5H3,(H,20,23).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 405.61 g/mol, XLogP of 2.10, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3239925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).