(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone

C11H14N2O3S — CID 115336278

IUPAC(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone
SMILESCc1ccnc(N)c1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O3S/c1-7-2-4-13-11(12)9(7)10(14)8-3-5-17(15,16)6-8/h2,4,8H,3,5-6H2,1H3,(H2,12,13)
InChIKeyKZYMSNNGRSNEHR-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.59
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone

(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 115336278) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone
PubChem CID115336278
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone
SMILESCc1ccnc(N)c1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O3S/c1-7-2-4-13-11(12)9(7)10(14)8-3-5-17(15,16)6-8/h2,4,8H,3,5-6H2,1H3,(H2,12,13)
InChIKeyKZYMSNNGRSNEHR-UHFFFAOYSA-N
XLogP0.59
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925467
N-(2-chloro-4-methyl-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103696096
(1,1-dioxothiolan-3-yl)-(5-methylfuran-2-yl)methanone
CID 64913805
(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone
CID 131071085
(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 115336329
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(4-amino-3-chlorophenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64906044
(1,1-dioxothiolan-3-yl)-(1-methylpyrazol-3-yl)methanone
CID 103130501
(1,1-dioxothiolan-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 115336304
(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methanone
CID 62390362
N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 167875557
N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 64913582

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone (CID 115336278) is (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone is Cc1ccnc(N)c1C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is KZYMSNNGRSNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-2-4-13-11(12)9(7)10(14)8-3-5-17(15,16)6-8/h2,4,8H,3,5-6H2,1H3,(H2,12,13).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone?
(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 115336278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).