2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide

C12H18N2OS — CID 65248653

IUPAC2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide
SMILESCc1ccn(CCC(C)(C)C(N)=S)c(=O)c1
InChIInChI=1S/C12H18N2OS/c1-9-4-6-14(10(15)8-9)7-5-12(2,3)11(13)16/h4,6,8H,5,7H2,1-3H3,(H2,13,16)
InChIKeyJKXJNUDHISGHPS-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.86
Rot. Bonds4

About 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide

2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide (PubChem CID 65248653) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide
PubChem CID65248653
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide
SMILESCc1ccn(CCC(C)(C)C(N)=S)c(=O)c1
InChIInChI=1S/C12H18N2OS/c1-9-4-6-14(10(15)8-9)7-5-12(2,3)11(13)16/h4,6,8H,5,7H2,1-3H3,(H2,13,16)
InChIKeyJKXJNUDHISGHPS-UHFFFAOYSA-N
XLogP1.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(2-oxo-1-pyridinyl)butanethioamide
CID 65249108
2,2-dimethyl-4-(3-methyl-2-oxoimidazol-1-yl)butanethioamide
CID 80581134
3,3,3-trifluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]propanethioamide
CID 103368934
N,N-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 116622594
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one
CID 115900483
4-methyl-1-octylpyridin-2-one
CID 116622543
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
CID 116622557
4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 62961955
2,2-dimethyl-5-(3-methyl-2,6-dioxopyrimidin-1-yl)pentanethioamide
CID 65259904
1-(2-aminopropyl)-4-methylpyridin-2-one
CID 62962673
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide (CID 65248653) is 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide is Cc1ccn(CCC(C)(C)C(N)=S)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide?
The InChIKey is JKXJNUDHISGHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-6-14(10(15)8-9)7-5-12(2,3)11(13)16/h4,6,8H,5,7H2,1-3H3,(H2,13,16).
What are the key properties of 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide?
2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide has a molecular weight of 238.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-2-oxo-1-pyridinyl)butanethioamide is sourced from PubChem (CID 65248653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).