6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline

C18H25N5O3S — CID 108565713

IUPAC6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
SMILESCc1nc2ccc(C(=O)N3CCC(NS(=O)(=O)N(C)C)CC3)cc2nc1C
InChIInChI=1S/C18H25N5O3S/c1-12-13(2)20-17-11-14(5-6-16(17)19-12)18(24)23-9-7-15(8-10-23)21-27(25,26)22(3)4/h5-6,11,15,21H,7-10H2,1-4H3
InChIKeyAYZUKZFNJOAOSU-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.25
Rot. Bonds4

About 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline

6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline (PubChem CID 108565713) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline.

Molecular Properties

Compound Name6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
PubChem CID108565713
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
SMILESCc1nc2ccc(C(=O)N3CCC(NS(=O)(=O)N(C)C)CC3)cc2nc1C
InChIInChI=1S/C18H25N5O3S/c1-12-13(2)20-17-11-14(5-6-16(17)19-12)18(24)23-9-7-15(8-10-23)21-27(25,26)22(3)4/h5-6,11,15,21H,7-10H2,1-4H3
InChIKeyAYZUKZFNJOAOSU-UHFFFAOYSA-N
XLogP1.25
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
CID 110821024
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
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
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108569305
(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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline?
The IUPAC name of 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline (CID 108565713) is 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline.
What is the SMILES notation for 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline?
The canonical SMILES for 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline is Cc1nc2ccc(C(=O)N3CCC(NS(=O)(=O)N(C)C)CC3)cc2nc1C.
What is the InChIKey of 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline?
The InChIKey is AYZUKZFNJOAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-12-13(2)20-17-11-14(5-6-16(17)19-12)18(24)23-9-7-15(8-10-23)21-27(25,26)22(3)4/h5-6,11,15,21H,7-10H2,1-4H3.
What are the key properties of 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline?
6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline has a molecular weight of 391.50 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline is sourced from PubChem (CID 108565713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).