[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C14H17N3O2S — CID 66651597

IUPAC[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNCC1CCCc2cc(S(=O)(=O)c3cn[nH]c3)ccc21
InChIInChI=1S/C14H17N3O2S/c15-7-11-3-1-2-10-6-12(4-5-14(10)11)20(18,19)13-8-16-17-9-13/h4-6,8-9,11H,1-3,7,15H2,(H,16,17)
InChIKeyQUNVWLZIMPVCFO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.62
Rot. Bonds3

About [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 66651597) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID66651597
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNCC1CCCc2cc(S(=O)(=O)c3cn[nH]c3)ccc21
InChIInChI=1S/C14H17N3O2S/c15-7-11-3-1-2-10-6-12(4-5-14(10)11)20(18,19)13-8-16-17-9-13/h4-6,8-9,11H,1-3,7,15H2,(H,16,17)
InChIKeyQUNVWLZIMPVCFO-UHFFFAOYSA-N
XLogP1.62
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine 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 [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 66651597) is [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NCC1CCCc2cc(S(=O)(=O)c3cn[nH]c3)ccc21.
What is the InChIKey of [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is QUNVWLZIMPVCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-7-11-3-1-2-10-6-12(4-5-14(10)11)20(18,19)13-8-16-17-9-13/h4-6,8-9,11H,1-3,7,15H2,(H,16,17).
What are the key properties of [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 291.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 66651597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).