3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide

C11H15N3O3S2 — CID 106597230

IUPAC3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C11H15N3O3S2/c12-11(18)10-9(2-1-4-13-10)19(15,16)14-6-8-3-5-17-7-8/h1-2,4,8,14H,3,5-7H2,(H2,12,18)
InChIKeyYTCWKRNYBBKLJW-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.03
Rot. Bonds5

About 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide

3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106597230) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106597230
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C11H15N3O3S2/c12-11(18)10-9(2-1-4-13-10)19(15,16)14-6-8-3-5-17-7-8/h1-2,4,8,14H,3,5-7H2,(H2,12,18)
InChIKeyYTCWKRNYBBKLJW-UHFFFAOYSA-N
XLogP0.03
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62825249
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
3-(oxan-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597324
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-[methyl(oxan-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597356
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 106596660
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide (CID 106597230) is 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)NCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is YTCWKRNYBBKLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c12-11(18)10-9(2-1-4-13-10)19(15,16)14-6-8-3-5-17-7-8/h1-2,4,8,14H,3,5-7H2,(H2,12,18).
What are the key properties of 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide?
3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 301.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106597230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).