5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

C10H18N4O3S — CID 103167675

IUPAC5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(CC2CCC2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-17-6-5-14-9(7-8-3-2-4-8)12-13-10(14)18(11,15)16/h8H,2-7H2,1H3,(H2,11,15,16)
InChIKeyPTUKWMOUDPEGKD-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.09
Rot. Bonds6

About 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 103167675) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
PubChem CID103167675
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(CC2CCC2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-17-6-5-14-9(7-8-3-2-4-8)12-13-10(14)18(11,15)16/h8H,2-7H2,1H3,(H2,11,15,16)
InChIKeyPTUKWMOUDPEGKD-UHFFFAOYSA-N
XLogP-0.09
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide (CID 103167675) is 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide is COCCn1c(CC2CCC2)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is PTUKWMOUDPEGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-17-6-5-14-9(7-8-3-2-4-8)12-13-10(14)18(11,15)16/h8H,2-7H2,1H3,(H2,11,15,16).
What are the key properties of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103167675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).