N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide

C14H14N4O3S2 — CID 95741077

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Sc2ncccn2)ccn1
InChIInChI=1S/C14H14N4O3S2/c19-13(18-10-3-7-23(20,21)9-10)12-8-11(2-6-15-12)22-14-16-4-1-5-17-14/h1-2,4-6,8,10H,3,7,9H2,(H,18,19)/t10-/m0/s1
InChIKeyKIEMNWVAYGOIDC-JTQLQIEISA-N
MW350.43 g/mol
LogP0.94
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide (PubChem CID 95741077) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
PubChem CID95741077
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Sc2ncccn2)ccn1
InChIInChI=1S/C14H14N4O3S2/c19-13(18-10-3-7-23(20,21)9-10)12-8-11(2-6-15-12)22-14-16-4-1-5-17-14/h1-2,4-6,8,10H,3,7,9H2,(H,18,19)/t10-/m0/s1
InChIKeyKIEMNWVAYGOIDC-JTQLQIEISA-N
XLogP0.94
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide 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

N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyridin-2-ylsulfanylbenzamide
CID 94796018
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211268
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide (CID 95741077) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Sc2ncccn2)ccn1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The InChIKey is KIEMNWVAYGOIDC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O3S2/c19-13(18-10-3-7-23(20,21)9-10)12-8-11(2-6-15-12)22-14-16-4-1-5-17-14/h1-2,4-6,8,10H,3,7,9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 95741077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).