5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide

C11H15N3O3S2 — CID 114614705

IUPAC5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1(NS(=O)(=O)c2ccc(C(N)=S)nc2)CCOC1
InChIInChI=1S/C11H15N3O3S2/c1-11(4-5-17-7-11)14-19(15,16)8-2-3-9(10(12)18)13-6-8/h2-3,6,14H,4-5,7H2,1H3,(H2,12,18)
InChIKeyUUMIOJQJTQOKKP-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.17
Rot. Bonds4

About 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide

5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614705) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614705
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCC1(NS(=O)(=O)c2ccc(C(N)=S)nc2)CCOC1
InChIInChI=1S/C11H15N3O3S2/c1-11(4-5-17-7-11)14-19(15,16)8-2-3-9(10(12)18)13-6-8/h2-3,6,14H,4-5,7H2,1H3,(H2,12,18)
InChIKeyUUMIOJQJTQOKKP-UHFFFAOYSA-N
XLogP0.17
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.17
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

6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
CID 114613753
5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 115767149
5-[(2,2-dimethylcyclohexyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614590
5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614412
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 113482368
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide (CID 114614705) is 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide is CC1(NS(=O)(=O)c2ccc(C(N)=S)nc2)CCOC1.
What is the InChIKey of 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is UUMIOJQJTQOKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-11(4-5-17-7-11)14-19(15,16)8-2-3-9(10(12)18)13-6-8/h2-3,6,14H,4-5,7H2,1H3,(H2,12,18).
What are the key properties of 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide?
5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 301.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).