6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide

C10H13N3O5S — CID 107848455

IUPAC6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C10H13N3O5S/c11-3-8-1-2-9(4-12-8)19(17,18)13-10(5-14,6-15)7-16/h1-2,4,13-16H,5-7H2
InChIKeyDMXUZBCSGCYEIO-UHFFFAOYSA-N
MW287.30 g/mol
LogP-2.05
Rot. Bonds6

About 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide

6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide (PubChem CID 107848455) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
PubChem CID107848455
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C10H13N3O5S/c11-3-8-1-2-9(4-12-8)19(17,18)13-10(5-14,6-15)7-16/h1-2,4,13-16H,5-7H2
InChIKeyDMXUZBCSGCYEIO-UHFFFAOYSA-N
XLogP-2.05
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
CID 115752426
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
6-cyano-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 114614808
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide (CID 107848455) is 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC(CO)(CO)CO)cn1.
What is the InChIKey of 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide?
The InChIKey is DMXUZBCSGCYEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c11-3-8-1-2-9(4-12-8)19(17,18)13-10(5-14,6-15)7-16/h1-2,4,13-16H,5-7H2.
What are the key properties of 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide?
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide has a molecular weight of 287.30 g/mol, XLogP of -2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 107848455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).