2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide

C16H21N3OS — CID 65260313

IUPAC2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
SMILESCc1nc2ccccc2n(CCCC(C)(C)C(N)=S)c1=O
InChIInChI=1S/C16H21N3OS/c1-11-14(20)19(10-6-9-16(2,3)15(17)21)13-8-5-4-7-12(13)18-11/h4-5,7-8H,6,9-10H2,1-3H3,(H2,17,21)
InChIKeySWNHHRCSKAKBFX-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.80
Rot. Bonds5

About 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide

2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide (PubChem CID 65260313) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
PubChem CID65260313
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
SMILESCc1nc2ccccc2n(CCCC(C)(C)C(N)=S)c1=O
InChIInChI=1S/C16H21N3OS/c1-11-14(20)19(10-6-9-16(2,3)15(17)21)13-8-5-4-7-12(13)18-11/h4-5,7-8H,6,9-10H2,1-3H3,(H2,17,21)
InChIKeySWNHHRCSKAKBFX-UHFFFAOYSA-N
XLogP2.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 65248934
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
2,2-dimethyl-4-(2-oxoquinoxalin-1-yl)butanethioamide
CID 65248642
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide
CID 146100678
1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one
CID 79572176
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
CID 62374390

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide?
The IUPAC name of 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide (CID 65260313) is 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide.
What is the SMILES notation for 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide?
The canonical SMILES for 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide is Cc1nc2ccccc2n(CCCC(C)(C)C(N)=S)c1=O.
What is the InChIKey of 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide?
The InChIKey is SWNHHRCSKAKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-14(20)19(10-6-9-16(2,3)15(17)21)13-8-5-4-7-12(13)18-11/h4-5,7-8H,6,9-10H2,1-3H3,(H2,17,21).
What are the key properties of 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide?
2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide has a molecular weight of 303.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide is sourced from PubChem (CID 65260313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).