N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide

C17H22N4O4S — CID 126429754

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H22N4O4S/c22-15-17(20-14-4-2-1-3-13(14)19-15)6-8-21(9-7-17)16(23)18-12-5-10-26(24,25)11-12/h1-4,12,20H,5-11H2,(H,18,23)(H,19,22)/t12-/m0/s1
InChIKeyNUNDAXIPNOOFMW-LBPRGKRZSA-N
MW378.45 g/mol
LogP0.78
Rot. Bonds1

About N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide (PubChem CID 126429754) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide
PubChem CID126429754
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H22N4O4S/c22-15-17(20-14-4-2-1-3-13(14)19-15)6-8-21(9-7-17)16(23)18-12-5-10-26(24,25)11-12/h1-4,12,20H,5-11H2,(H,18,23)(H,19,22)/t12-/m0/s1
InChIKeyNUNDAXIPNOOFMW-LBPRGKRZSA-N
XLogP0.78
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-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

N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038
1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580301
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
N-(1,1-dioxothiolan-3-yl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18532804
ethyl 1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 25450718
(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
CID 96575753
N-(1,1-dioxothiolan-3-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 110706168
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide (CID 126429754) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is NUNDAXIPNOOFMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-15-17(20-14-4-2-1-3-13(14)19-15)6-8-21(9-7-17)16(23)18-12-5-10-26(24,25)11-12/h1-4,12,20H,5-11H2,(H,18,23)(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 126429754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).