N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide

C6H12N4O3S — CID 83101648

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H12N4O3S/c1-3-4-14(11,12)10-5-7-6(13-2)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyQGSSOYZTDOVFFO-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.04
Rot. Bonds5

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (PubChem CID 83101648) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
PubChem CID83101648
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H12N4O3S/c1-3-4-14(11,12)10-5-7-6(13-2)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,10)
InChIKeyQGSSOYZTDOVFFO-UHFFFAOYSA-N
XLogP-0.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (CID 83101648) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The InChIKey is QGSSOYZTDOVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-3-4-14(11,12)10-5-7-6(13-2)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,10).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide has a molecular weight of 220.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 83101648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).