5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide

C10H15N3O4S2 — CID 114614213

IUPAC5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)N(CCO)CCO)cn1
InChIInChI=1S/C10H15N3O4S2/c11-10(18)9-2-1-8(7-12-9)19(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2,(H2,11,18)
InChIKeyIVAGEHIHRCVPSO-UHFFFAOYSA-N
MW305.38 g/mol
LogP-1.31
Rot. Bonds7

About 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide

5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614213) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614213
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)N(CCO)CCO)cn1
InChIInChI=1S/C10H15N3O4S2/c11-10(18)9-2-1-8(7-12-9)19(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2,(H2,11,18)
InChIKeyIVAGEHIHRCVPSO-UHFFFAOYSA-N
XLogP-1.31
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614340
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
5-[methyl-(4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614394
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614500
5-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-2-carbothioamide
CID 114614521
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide (CID 114614213) is 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)N(CCO)CCO)cn1.
What is the InChIKey of 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is IVAGEHIHRCVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c11-10(18)9-2-1-8(7-12-9)19(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2,(H2,11,18).
What are the key properties of 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide?
5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 305.38 g/mol, XLogP of -1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).