N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide

C9H17N5O4S — CID 83101870

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C9H17N5O4S/c1-6-4-14(5-7(2)18-6)19(15,16)13-8-10-9(17-3)12-11-8/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyNXZRRTRYKOIHTP-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.42
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 83101870) has the molecular formula C9H17N5O4S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID83101870
Molecular FormulaC9H17N5O4S
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C9H17N5O4S/c1-6-4-14(5-7(2)18-6)19(15,16)13-8-10-9(17-3)12-11-8/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyNXZRRTRYKOIHTP-UHFFFAOYSA-N
XLogP-0.42
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide (CID 83101870) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide is COc1n[nH]c(NS(=O)(=O)N2CC(C)OC(C)C2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is NXZRRTRYKOIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4S/c1-6-4-14(5-7(2)18-6)19(15,16)13-8-10-9(17-3)12-11-8/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 83101870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).