N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide

C14H22N4O4S — CID 109276240

IUPACN-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H22N4O4S/c1-18(11-4-7-23(20,21)10-11)14(19)12-8-17-13(9-16-12)15-5-3-6-22-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyCIDQXVXUFSANAF-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.18
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide (PubChem CID 109276240) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
PubChem CID109276240
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H22N4O4S/c1-18(11-4-7-23(20,21)10-11)14(19)12-8-17-13(9-16-12)15-5-3-6-22-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyCIDQXVXUFSANAF-UHFFFAOYSA-N
XLogP0.18
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
CID 109282293
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethylamino)-N-methylpyridine-2-carboxamide
CID 109205878
6-[3-(dimethylamino)propylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109344716
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285387
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167188
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
1-(1,1-dioxothiolan-3-yl)-3-(3-methoxypropyl)-1-methylthiourea
CID 113218995
6-(butylamino)-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpyrimidine-4-carboxamide
CID 109361591
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183862
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide (CID 109276240) is N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide is COCCCNc1cnc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide?
The InChIKey is CIDQXVXUFSANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-18(11-4-7-23(20,21)10-11)14(19)12-8-17-13(9-16-12)15-5-3-6-22-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).