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

C10H16ClN3O3S — CID 103167658

IUPAC5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(CC2CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H16ClN3O3S/c1-17-6-5-14-9(7-8-3-2-4-8)12-13-10(14)18(11,15)16/h8H,2-7H2,1H3
InChIKeyMLAOMHGACWIMLV-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.19
Rot. Bonds6

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

5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 103167658) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID103167658
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(CC2CCC2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H16ClN3O3S/c1-17-6-5-14-9(7-8-3-2-4-8)12-13-10(14)18(11,15)16/h8H,2-7H2,1H3
InChIKeyMLAOMHGACWIMLV-UHFFFAOYSA-N
XLogP1.19
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018321
4-(2-Methoxyethyl)-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018433
5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 104020616
4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165465892
5-butyl-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165476824
4-(2-methoxyethyl)-5-(oxetan-3-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165476839
4-(2-methoxyethyl)-5-(2-methylpropyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165487646
5-cyclobutyl-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165488320
5-(butan-2-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165488326
4-ethyl-5-(3-methoxycyclobutyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165488396
4-(2-ethoxyethyl)-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165870327
4-butyl-5-cyclobutyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165871099

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride (CID 103167658) is 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride is COCCn1c(CC2CCC2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is MLAOMHGACWIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-17-6-5-14-9(7-8-3-2-4-8)12-13-10(14)18(11,15)16/h8H,2-7H2,1H3.
What are the key properties of 5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride?
5-(cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 293.78 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 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-sulfonyl chloride is sourced from PubChem (CID 103167658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).