N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine

C11H15N3OS — CID 115632496

IUPACN-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-16(15)5-4-12-7-9-2-3-10-8-13-14-11(10)6-9/h2-3,6,8,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyOJRKMEDVPTUSDG-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.03
Rot. Bonds5

About N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine

N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine (PubChem CID 115632496) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
PubChem CID115632496
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-16(15)5-4-12-7-9-2-3-10-8-13-14-11(10)6-9/h2-3,6,8,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyOJRKMEDVPTUSDG-UHFFFAOYSA-N
XLogP1.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine 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-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine (CID 115632496) is N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine is CS(=O)CCNCc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine?
The InChIKey is OJRKMEDVPTUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-16(15)5-4-12-7-9-2-3-10-8-13-14-11(10)6-9/h2-3,6,8,12H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine?
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine is sourced from PubChem (CID 115632496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).