(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone

C19H26N4O3S — CID 108569305

IUPAC(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1
InChIInChI=1S/C19H26N4O3S/c1-4-5-12-27(25,26)23-10-8-22(9-11-23)19(24)16-6-7-17-18(13-16)21-15(3)14(2)20-17/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyAJLZDWWYBRUOIT-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.13
Rot. Bonds5

About (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone

(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 108569305) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID108569305
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1
InChIInChI=1S/C19H26N4O3S/c1-4-5-12-27(25,26)23-10-8-22(9-11-23)19(24)16-6-7-17-18(13-16)21-15(3)14(2)20-17/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyAJLZDWWYBRUOIT-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butylsulfonylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110805000
(2-methyl-1,3-benzoxazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110399539
(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804882
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
6-(4-butylsulfonylpiperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110400173
[4-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazine-1-carbonyl]phenyl] ethyl carbonate
CID 108929563
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797

Frequently Asked Questions

What is the IUPAC name of (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone (CID 108569305) is (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone is CCCCS(=O)(=O)N1CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1.
What is the InChIKey of (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is AJLZDWWYBRUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-5-12-27(25,26)23-10-8-22(9-11-23)19(24)16-6-7-17-18(13-16)21-15(3)14(2)20-17/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
(4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfonylpiperazin-1-yl)-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 108569305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).