1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C19H33N3O3S2 — CID 3243628

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C19H33N3O3S2/c1-15(2)13-22(14-16(3)4)27(24,25)21-9-7-17(8-10-21)19(23)20-12-18-6-5-11-26-18/h5-6,11,15-17H,7-10,12-14H2,1-4H3,(H,20,23)
InChIKeyKEHJSIFKFLIBRL-UHFFFAOYSA-N
MW415.63 g/mol
LogP2.94
Rot. Bonds9

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3243628) has the molecular formula C19H33N3O3S2 and a molecular weight of 415.63 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3243628
Molecular FormulaC19H33N3O3S2
Molecular Weight415.63 g/mol
Exact Mass415.20
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C19H33N3O3S2/c1-15(2)13-22(14-16(3)4)27(24,25)21-9-7-17(8-10-21)19(23)20-12-18-6-5-11-26-18/h5-6,11,15-17H,7-10,12-14H2,1-4H3,(H,20,23)
InChIKeyKEHJSIFKFLIBRL-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 3243628) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KEHJSIFKFLIBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S2/c1-15(2)13-22(14-16(3)4)27(24,25)21-9-7-17(8-10-21)19(23)20-12-18-6-5-11-26-18/h5-6,11,15-17H,7-10,12-14H2,1-4H3,(H,20,23).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 415.63 g/mol, XLogP of 2.94, 9 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-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3243628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).