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

C6H10N4O3S — CID 83101640

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C6H10N4O3S/c1-13-6-7-5(8-9-6)10-14(11,12)4-2-3-4/h4H,2-3H2,1H3,(H2,7,8,9,10)
InChIKeyBCPSRZPIXXNODN-UHFFFAOYSA-N
MW218.24 g/mol
LogP-0.28
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide (PubChem CID 83101640) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide
PubChem CID83101640
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C6H10N4O3S/c1-13-6-7-5(8-9-6)10-14(11,12)4-2-3-4/h4H,2-3H2,1H3,(H2,7,8,9,10)
InChIKeyBCPSRZPIXXNODN-UHFFFAOYSA-N
XLogP-0.28
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-0.28
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)cyclopropanesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide (CID 83101640) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide is COc1n[nH]c(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide?
The InChIKey is BCPSRZPIXXNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c1-13-6-7-5(8-9-6)10-14(11,12)4-2-3-4/h4H,2-3H2,1H3,(H2,7,8,9,10).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropanesulfonamide has a molecular weight of 218.24 g/mol, XLogP of -0.28, 4 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)cyclopropanesulfonamide is sourced from PubChem (CID 83101640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).