N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide

C10H13N3O5S2 — CID 95390779

IUPACN'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1
InChIInChI=1S/C10H13N3O5S2/c14-10(8-1-4-11-5-2-8)12-13-20(17,18)9-3-6-19(15,16)7-9/h1-2,4-5,9,13H,3,6-7H2,(H,12,14)/t9-/m1/s1
InChIKeyBPVFYBJIKBZRQH-SECBINFHSA-N
MW319.36 g/mol
LogP-1.17
Rot. Bonds4

About N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide

N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide (PubChem CID 95390779) has the molecular formula C10H13N3O5S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide
PubChem CID95390779
Molecular FormulaC10H13N3O5S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC NameN'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1
InChIInChI=1S/C10H13N3O5S2/c14-10(8-1-4-11-5-2-8)12-13-20(17,18)9-3-6-19(15,16)7-9/h1-2,4-5,9,13H,3,6-7H2,(H,12,14)/t9-/m1/s1
InChIKeyBPVFYBJIKBZRQH-SECBINFHSA-N
XLogP-1.17
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
N-[3-(1,1-dioxothiolan-3-yl)propyl]pyridine-4-carboxamide
CID 110418925
1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
CID 61284724
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N'-propylsulfonylpyridine-4-carbohydrazide
CID 94072063
4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 42362615
N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
CID 7371003
4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 42362990
4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 42362463
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443066
N-(4-chloropyrimidin-2-yl)-1,1-dioxothiolane-3-sulfonamide
CID 114052602

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide?
The IUPAC name of N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide (CID 95390779) is N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide?
The canonical SMILES for N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide is O=C(NNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1.
What is the InChIKey of N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide?
The InChIKey is BPVFYBJIKBZRQH-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N3O5S2/c14-10(8-1-4-11-5-2-8)12-13-20(17,18)9-3-6-19(15,16)7-9/h1-2,4-5,9,13H,3,6-7H2,(H,12,14)/t9-/m1/s1.
What are the key properties of N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide?
N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide has a molecular weight of 319.36 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1,1-dioxothiolan-3-yl]sulfonylpyridine-4-carbohydrazide is sourced from PubChem (CID 95390779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).