(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide

C18H22N4O4S — CID 8963894

About (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide

(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide (PubChem CID 8963894) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide
• PubChem CID: 8963894
• Molecular Formula: C18H22N4O4S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.14
• IUPAC Name: (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide
• SMILES: O=C(CNC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21)NC1CC1
• InChI: InChI=1S/C18H22N4O4S/c23-16(20-12-8-9-12)11-19-18(24)14-6-3-4-10-22(14)17-13-5-1-2-7-15(13)27(25,26)21-17/h1-2,5,7,12,14H,3-4,6,8-11H2,(H,19,24)(H,20,23)/t14-/m1/s1
• InChIKey: MNLCYNSAQPUPPB-CQSZACIVSA-N
• XLogP: 0.38
• TPSA: 107.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide?

The IUPAC name of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide (CID 8963894) is (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide?

The canonical SMILES for (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide is O=C(CNC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21)NC1CC1.

What is the InChIKey of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide?

The InChIKey is MNLCYNSAQPUPPB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O4S/c23-16(20-12-8-9-12)11-19-18(24)14-6-3-4-10-22(14)17-13-5-1-2-7-15(13)27(25,26)21-17/h1-2,5,7,12,14H,3-4,6,8-11H2,(H,19,24)(H,20,23)/t14-/m1/s1.

What are the key properties of (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide?

(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 8963894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).