1-tert-butylsulfonylnaphthalen-2-amine

C14H17NO2S — CID 162717015

IUPAC1-tert-butylsulfonylnaphthalen-2-amine
SMILESCC(C)(C)S(=O)(=O)c1c(N)ccc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-14(2,3)18(16,17)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,15H2,1-3H3
InChIKeyQMJXGNPGMSJYRI-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.99
Rot. Bonds1

About 1-tert-butylsulfonylnaphthalen-2-amine

1-tert-butylsulfonylnaphthalen-2-amine (PubChem CID 162717015) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-tert-butylsulfonylnaphthalen-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfonylnaphthalen-2-amine
PubChem CID162717015
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-tert-butylsulfonylnaphthalen-2-amine
SMILESCC(C)(C)S(=O)(=O)c1c(N)ccc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-14(2,3)18(16,17)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,15H2,1-3H3
InChIKeyQMJXGNPGMSJYRI-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-tert-butylsulfonylnaphthalen-2-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-tert-butylsulfonylnaphthalen-2-amine?
The IUPAC name of 1-tert-butylsulfonylnaphthalen-2-amine (CID 162717015) is 1-tert-butylsulfonylnaphthalen-2-amine.
What is the SMILES notation for 1-tert-butylsulfonylnaphthalen-2-amine?
The canonical SMILES for 1-tert-butylsulfonylnaphthalen-2-amine is CC(C)(C)S(=O)(=O)c1c(N)ccc2ccccc12.
What is the InChIKey of 1-tert-butylsulfonylnaphthalen-2-amine?
The InChIKey is QMJXGNPGMSJYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-14(2,3)18(16,17)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,15H2,1-3H3.
What are the key properties of 1-tert-butylsulfonylnaphthalen-2-amine?
1-tert-butylsulfonylnaphthalen-2-amine has a molecular weight of 263.36 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonylnaphthalen-2-amine is sourced from PubChem (CID 162717015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).