(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone

C16H20N4OS — CID 163968262

IUPAC(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC(NS)CC3)cc2nc1C
InChIInChI=1S/C16H20N4OS/c1-10-11(2)18-15-9-12(3-4-14(15)17-10)16(21)20-7-5-13(19-22)6-8-20/h3-4,9,13,19,22H,5-8H2,1-2H3
InChIKeySNSRCLNZCUSPIJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.29
Rot. Bonds2

About (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone

(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone (PubChem CID 163968262) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
PubChem CID163968262
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC(NS)CC3)cc2nc1C
InChIInChI=1S/C16H20N4OS/c1-10-11(2)18-15-9-12(3-4-14(15)17-10)16(21)20-7-5-13(19-22)6-8-20/h3-4,9,13,19,22H,5-8H2,1-2H3
InChIKeySNSRCLNZCUSPIJ-UHFFFAOYSA-N
XLogP2.29
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
CID 108565713
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552552
(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 110304852

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone (CID 163968262) is (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCC(NS)CC3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone?
The InChIKey is SNSRCLNZCUSPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-11(2)18-15-9-12(3-4-14(15)17-10)16(21)20-7-5-13(19-22)6-8-20/h3-4,9,13,19,22H,5-8H2,1-2H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 163968262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).