N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide

C12H21N3O2S — CID 90613912

IUPACN-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C12H21N3O2S/c1-2-9-18(16,17)14-7-8-15-12-6-4-3-5-11(12)10-13-15/h10,14H,2-9H2,1H3
InChIKeyHCVHDISHJKGFJK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.09
Rot. Bonds6

About N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 90613912) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID90613912
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C12H21N3O2S/c1-2-9-18(16,17)14-7-8-15-12-6-4-3-5-11(12)10-13-15/h10,14H,2-9H2,1H3
InChIKeyHCVHDISHJKGFJK-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide 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-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide (CID 90613912) is N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1ncc2c1CCCC2.
What is the InChIKey of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is HCVHDISHJKGFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-9-18(16,17)14-7-8-15-12-6-4-3-5-11(12)10-13-15/h10,14H,2-9H2,1H3.
What are the key properties of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90613912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).