5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

C12H22N4O4S — CID 103167676

IUPAC5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
SMILESCCOC1CC(Cc2nnc(S(N)(=O)=O)n2CCOC)C1
InChIInChI=1S/C12H22N4O4S/c1-3-20-10-6-9(7-10)8-11-14-15-12(21(13,17)18)16(11)4-5-19-2/h9-10H,3-8H2,1-2H3,(H2,13,17,18)
InChIKeyNXMPZCUVEAHVDP-UHFFFAOYSA-N
MW318.40 g/mol
LogP-0.07
Rot. Bonds8

About 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 103167676) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
PubChem CID103167676
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
SMILESCCOC1CC(Cc2nnc(S(N)(=O)=O)n2CCOC)C1
InChIInChI=1S/C12H22N4O4S/c1-3-20-10-6-9(7-10)8-11-14-15-12(21(13,17)18)16(11)4-5-19-2/h9-10H,3-8H2,1-2H3,(H2,13,17,18)
InChIKeyNXMPZCUVEAHVDP-UHFFFAOYSA-N
XLogP-0.07
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide (CID 103167676) is 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide is CCOC1CC(Cc2nnc(S(N)(=O)=O)n2CCOC)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is NXMPZCUVEAHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-3-20-10-6-9(7-10)8-11-14-15-12(21(13,17)18)16(11)4-5-19-2/h9-10H,3-8H2,1-2H3,(H2,13,17,18).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103167676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).