N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide

C16H24N2O4S — CID 134057186

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O4S/c19-16(13-6-10-23(20,21)12-13)17-11-14(15-5-4-9-22-15)18-7-2-1-3-8-18/h4-5,9,13-14H,1-3,6-8,10-12H2,(H,17,19)
InChIKeyCELLCRXJEUIVCE-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 134057186) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID134057186
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O4S/c19-16(13-6-10-23(20,21)12-13)17-11-14(15-5-4-9-22-15)18-7-2-1-3-8-18/h4-5,9,13-14H,1-3,6-8,10-12H2,(H,17,19)
InChIKeyCELLCRXJEUIVCE-UHFFFAOYSA-N
XLogP1.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165357
(3R)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165356
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94152825
(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 30468496
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
(3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933493

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide (CID 134057186) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is CELLCRXJEUIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c19-16(13-6-10-23(20,21)12-13)17-11-14(15-5-4-9-22-15)18-7-2-1-3-8-18/h4-5,9,13-14H,1-3,6-8,10-12H2,(H,17,19).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 134057186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).