1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine

C10H18N4O2S — CID 23908383

IUPAC1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESC=CCS(=O)(=O)c1nnc(C(N)CC)n1CC
InChIInChI=1S/C10H18N4O2S/c1-4-7-17(15,16)10-13-12-9(8(11)5-2)14(10)6-3/h4,8H,1,5-7,11H2,2-3H3
InChIKeyDIXHPYCUFAZHHC-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.67
Rot. Bonds6

About 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine

1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 23908383) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID23908383
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESC=CCS(=O)(=O)c1nnc(C(N)CC)n1CC
InChIInChI=1S/C10H18N4O2S/c1-4-7-17(15,16)10-13-12-9(8(11)5-2)14(10)6-3/h4,8H,1,5-7,11H2,2-3H3
InChIKeyDIXHPYCUFAZHHC-UHFFFAOYSA-N
XLogP0.67
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine 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 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine (CID 23908383) is 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine is C=CCS(=O)(=O)c1nnc(C(N)CC)n1CC.
What is the InChIKey of 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is DIXHPYCUFAZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-7-17(15,16)10-13-12-9(8(11)5-2)14(10)6-3/h4,8H,1,5-7,11H2,2-3H3.
What are the key properties of 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine?
1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 258.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 23908383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).