5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide

C10H17BrN4O3S — CID 103354648

IUPAC5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide
SMILESCOCCC1(CNS(=O)(=O)c2c(Br)nnn2C)CC1
InChIInChI=1S/C10H17BrN4O3S/c1-15-9(8(11)13-14-15)19(16,17)12-7-10(3-4-10)5-6-18-2/h12H,3-7H2,1-2H3
InChIKeyMYRZBZLYGWTVIY-UHFFFAOYSA-N
MW353.24 g/mol
LogP0.67
Rot. Bonds7

About 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide

5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide (PubChem CID 103354648) has the molecular formula C10H17BrN4O3S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide
PubChem CID103354648
Molecular FormulaC10H17BrN4O3S
Molecular Weight353.24 g/mol
Exact Mass352.02
IUPAC Name5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide
SMILESCOCCC1(CNS(=O)(=O)c2c(Br)nnn2C)CC1
InChIInChI=1S/C10H17BrN4O3S/c1-15-9(8(11)13-14-15)19(16,17)12-7-10(3-4-10)5-6-18-2/h12H,3-7H2,1-2H3
InChIKeyMYRZBZLYGWTVIY-UHFFFAOYSA-N
XLogP0.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide (CID 103354648) is 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide is COCCC1(CNS(=O)(=O)c2c(Br)nnn2C)CC1.
What is the InChIKey of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is MYRZBZLYGWTVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O3S/c1-15-9(8(11)13-14-15)19(16,17)12-7-10(3-4-10)5-6-18-2/h12H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide?
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 353.24 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 103354648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).