N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide

C14H24N4O3S — CID 128502856

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
SMILESCn1c(CNS(=O)(=O)CCC2CCOCC2)nnc1C1CC1
InChIInChI=1S/C14H24N4O3S/c1-18-13(16-17-14(18)12-2-3-12)10-15-22(19,20)9-6-11-4-7-21-8-5-11/h11-12,15H,2-10H2,1H3
InChIKeyDYVRKLRWKBDFGC-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.93
Rot. Bonds7

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide (PubChem CID 128502856) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
PubChem CID128502856
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
SMILESCn1c(CNS(=O)(=O)CCC2CCOCC2)nnc1C1CC1
InChIInChI=1S/C14H24N4O3S/c1-18-13(16-17-14(18)12-2-3-12)10-15-22(19,20)9-6-11-4-7-21-8-5-11/h11-12,15H,2-10H2,1H3
InChIKeyDYVRKLRWKBDFGC-UHFFFAOYSA-N
XLogP0.93
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide (CID 128502856) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide is Cn1c(CNS(=O)(=O)CCC2CCOCC2)nnc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
The InChIKey is DYVRKLRWKBDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-18-13(16-17-14(18)12-2-3-12)10-15-22(19,20)9-6-11-4-7-21-8-5-11/h11-12,15H,2-10H2,1H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 128502856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).