1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide

C14H23N3O4S — CID 46991870

IUPAC1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C14H23N3O4S/c1-15-22(19,20)9-6-16-14(18)12-4-2-7-17(10-12)11-13-5-3-8-21-13/h3,5,8,12,15H,2,4,6-7,9-11H2,1H3,(H,16,18)
InChIKeyDSDROHTUYRTRQT-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.16
Rot. Bonds7

About 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide (PubChem CID 46991870) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
PubChem CID46991870
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C14H23N3O4S/c1-15-22(19,20)9-6-16-14(18)12-4-2-7-17(10-12)11-13-5-3-8-21-13/h3,5,8,12,15H,2,4,6-7,9-11H2,1H3,(H,16,18)
InChIKeyDSDROHTUYRTRQT-UHFFFAOYSA-N
XLogP0.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97269175
(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97282796
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97284250
(3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97204734
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
(3S)-1-(furan-2-ylmethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97282886
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide (CID 46991870) is 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide is CNS(=O)(=O)CCNC(=O)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide?
The InChIKey is DSDROHTUYRTRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-15-22(19,20)9-6-16-14(18)12-4-2-7-17(10-12)11-13-5-3-8-21-13/h3,5,8,12,15H,2,4,6-7,9-11H2,1H3,(H,16,18).
What are the key properties of 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46991870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).