N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide

C10H13N3O3S — CID 64913582

IUPACN-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESNc1cnccc1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O3S/c11-8-5-12-3-1-9(8)13-10(14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2,(H,12,13,14)
InChIKeyBLMHRFAKPMDIQG-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.04
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide

N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 64913582) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID64913582
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESNc1cnccc1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O3S/c11-8-5-12-3-1-9(8)13-10(14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2,(H,12,13,14)
InChIKeyBLMHRFAKPMDIQG-UHFFFAOYSA-N
XLogP0.04
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463
N-(2-amino-4-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 64913377
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534986
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 63297241
(3S)-N-(2,3-dimethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9069926
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
CID 55468735

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide (CID 64913582) is N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide is Nc1cnccc1NC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is BLMHRFAKPMDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c11-8-5-12-3-1-9(8)13-10(14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2,(H,12,13,14).
What are the key properties of N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64913582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).