[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate

C8H11N5O6S — CID 14443577

IUPAC[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
SMILESN#Cc1ncn(C2OC(COS(N)(=O)=O)C(O)C2O)n1
InChIInChI=1S/C8H11N5O6S/c9-1-5-11-3-13(12-5)8-7(15)6(14)4(19-8)2-18-20(10,16)17/h3-4,6-8,14-15H,2H2,(H2,10,16,17)
InChIKeyHBBAOIRLQWQUSR-UHFFFAOYSA-N
MW305.27 g/mol
LogP-3.01
Rot. Bonds4

About [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate

[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate (PubChem CID 14443577) has the molecular formula C8H11N5O6S and a molecular weight of 305.27 g/mol. Its IUPAC name is [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate.

Molecular Properties

Compound Name[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
PubChem CID14443577
Molecular FormulaC8H11N5O6S
Molecular Weight305.27 g/mol
Exact Mass305.04
IUPAC Name[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
SMILESN#Cc1ncn(C2OC(COS(N)(=O)=O)C(O)C2O)n1
InChIInChI=1S/C8H11N5O6S/c9-1-5-11-3-13(12-5)8-7(15)6(14)4(19-8)2-18-20(10,16)17/h3-4,6-8,14-15H,2H2,(H2,10,16,17)
InChIKeyHBBAOIRLQWQUSR-UHFFFAOYSA-N
XLogP-3.01
TPSA173.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 5-3.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate
CID 11960355
[(2R,3S,4R,5R)-5-(4-cyano-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14076690
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 70689548
[(2R,3S,4R,5R)-5-(4-amino-3-ethenylpyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 153295301
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
CID 53322463
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methoxyethylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 58296216
[(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 148769034
[(2R,3S,4R,5R)-5-(4-amino-3-cyclopentylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 149098788
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonylmethanesulfonic acid
CID 164817715
dilithium;[5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
CID 57369811
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(pyridin-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 170721879
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbonitrile
CID 3006680

Frequently Asked Questions

What is the IUPAC name of [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate?
The IUPAC name of [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate (CID 14443577) is [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate.
What is the SMILES notation for [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate?
The canonical SMILES for [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate is N#Cc1ncn(C2OC(COS(N)(=O)=O)C(O)C2O)n1.
What is the InChIKey of [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate?
The InChIKey is HBBAOIRLQWQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O6S/c9-1-5-11-3-13(12-5)8-7(15)6(14)4(19-8)2-18-20(10,16)17/h3-4,6-8,14-15H,2H2,(H2,10,16,17).
What are the key properties of [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate?
[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate has a molecular weight of 305.27 g/mol, XLogP of -3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate is sourced from PubChem (CID 14443577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).