N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide

C10H18N4O3S — CID 64512680

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)C2CCOCC2)n[nH]1
InChIInChI=1S/C10H18N4O3S/c1-8-11-10(13-12-8)7-14(2)18(15,16)9-3-5-17-6-4-9/h9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyRYICOBJBMAITAQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.05
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide (PubChem CID 64512680) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide
PubChem CID64512680
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)C2CCOCC2)n[nH]1
InChIInChI=1S/C10H18N4O3S/c1-8-11-10(13-12-8)7-14(2)18(15,16)9-3-5-17-6-4-9/h9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyRYICOBJBMAITAQ-UHFFFAOYSA-N
XLogP0.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide (CID 64512680) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide is Cc1nc(CN(C)S(=O)(=O)C2CCOCC2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide?
The InChIKey is RYICOBJBMAITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-8-11-10(13-12-8)7-14(2)18(15,16)9-3-5-17-6-4-9/h9H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 64512680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).