N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine

C12H19N3O2S — CID 62284182

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C12H19N3O2S/c1-13-7-10-3-4-12(14-8-10)15(2)11-5-6-18(16,17)9-11/h3-4,8,11,13H,5-7,9H2,1-2H3
InChIKeyKCHJXJBCFORHAW-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.42
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 62284182) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID62284182
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C12H19N3O2S/c1-13-7-10-3-4-12(14-8-10)15(2)11-5-6-18(16,17)9-11/h3-4,8,11,13H,5-7,9H2,1-2H3
InChIKeyKCHJXJBCFORHAW-UHFFFAOYSA-N
XLogP0.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754
N-[(4-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109156987
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
N-[3-(dimethylamino)propyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109154402
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
CID 113013666
6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 62282621
5-[[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-N,N-dimethylpyridin-2-amine
CID 99942006
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113013723
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine (CID 62284182) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine is CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is KCHJXJBCFORHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-7-10-3-4-12(14-8-10)15(2)11-5-6-18(16,17)9-11/h3-4,8,11,13H,5-7,9H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62284182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).