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

C7H13N5O3S — CID 83095770

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C7H13N5O3S/c1-15-7-8-6(9-10-7)11-16(13,14)12-4-2-3-5-12/h2-5H2,1H3,(H2,8,9,10,11)
InChIKeyVWUDBYXHXPCNGL-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.43
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide (PubChem CID 83095770) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
PubChem CID83095770
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C7H13N5O3S/c1-15-7-8-6(9-10-7)11-16(13,14)12-4-2-3-5-12/h2-5H2,1H3,(H2,8,9,10,11)
InChIKeyVWUDBYXHXPCNGL-UHFFFAOYSA-N
XLogP-0.43
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.43
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)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide (CID 83095770) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide is COc1n[nH]c(NS(=O)(=O)N2CCCC2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
The InChIKey is VWUDBYXHXPCNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-15-7-8-6(9-10-7)11-16(13,14)12-4-2-3-5-12/h2-5H2,1H3,(H2,8,9,10,11).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrrolidine-1-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of -0.43, 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 83095770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).