(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide

C18H19N3O4S — CID 8867921

IUPAC(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C18H19N3O4S/c22-18(19-12-13-6-5-11-25-13)15-8-3-4-10-21(15)17-14-7-1-2-9-16(14)26(23,24)20-17/h1-2,5-7,9,11,15H,3-4,8,10,12H2,(H,19,22)/t15-/m1/s1
InChIKeyFECVEHQHAJTFNH-OAHLLOKOSA-N
MW373.43 g/mol
LogP1.90
Rot. Bonds3

About (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide

(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 8867921) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide
PubChem CID8867921
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C18H19N3O4S/c22-18(19-12-13-6-5-11-25-13)15-8-3-4-10-21(15)17-14-7-1-2-9-16(14)26(23,24)20-17/h1-2,5-7,9,11,15H,3-4,8,10,12H2,(H,19,22)/t15-/m1/s1
InChIKeyFECVEHQHAJTFNH-OAHLLOKOSA-N
XLogP1.90
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 11936331
(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide
CID 8963894
N-(2-aminoethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 119383070
3-[[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119350913
(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 31455676
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-piperidin-1-ylpyrrolidine-2-carboxamide
CID 11938447
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 55936724
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41112423
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 73146331
(2S)-N-(2-anilino-2-oxoethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 55991363
(2R)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide
CID 41088534
(2S)-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 56578436

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide (CID 8867921) is (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide is O=C(NCc1ccco1)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is FECVEHQHAJTFNH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-18(19-12-13-6-5-11-25-13)15-8-3-4-10-21(15)17-14-7-1-2-9-16(14)26(23,24)20-17/h1-2,5-7,9,11,15H,3-4,8,10,12H2,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide?
(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(furan-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 8867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).