N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide

C14H22N4O2S — CID 104878529

IUPACN-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
SMILESCCn1nc(CNCCCNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C14H22N4O2S/c1-3-18-14-8-5-4-7-12(14)13(17-18)11-15-9-6-10-16-21(2,19)20/h4-5,7-8,15-16H,3,6,9-11H2,1-2H3
InChIKeyXXVPNZXXELVFAB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.09
Rot. Bonds8

About N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide

N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide (PubChem CID 104878529) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
PubChem CID104878529
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
SMILESCCn1nc(CNCCCNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C14H22N4O2S/c1-3-18-14-8-5-4-7-12(14)13(17-18)11-15-9-6-10-16-21(2,19)20/h4-5,7-8,15-16H,3,6,9-11H2,1-2H3
InChIKeyXXVPNZXXELVFAB-UHFFFAOYSA-N
XLogP1.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide 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-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide (CID 104878529) is N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide is CCn1nc(CNCCCNS(C)(=O)=O)c2ccccc21.
What is the InChIKey of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is XXVPNZXXELVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-18-14-8-5-4-7-12(14)13(17-18)11-15-9-6-10-16-21(2,19)20/h4-5,7-8,15-16H,3,6,9-11H2,1-2H3.
What are the key properties of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 104878529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).