N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide

C15H21NO2S — CID 159479938

IUPACN-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCC1=CCc2ccccc21
InChIInChI=1S/C15H21NO2S/c1-15(2,3)19(17,18)16-11-10-13-9-8-12-6-4-5-7-14(12)13/h4-7,9,16H,8,10-11H2,1-3H3
InChIKeyLWWKNWXOMSKRNN-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide

N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide (PubChem CID 159479938) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide
PubChem CID159479938
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCC1=CCc2ccccc21
InChIInChI=1S/C15H21NO2S/c1-15(2,3)19(17,18)16-11-10-13-9-8-12-6-4-5-7-14(12)13/h4-7,9,16H,8,10-11H2,1-3H3
InChIKeyLWWKNWXOMSKRNN-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide (CID 159479938) is N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCC1=CCc2ccccc21.
What is the InChIKey of N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide?
The InChIKey is LWWKNWXOMSKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(2,3)19(17,18)16-11-10-13-9-8-12-6-4-5-7-14(12)13/h4-7,9,16H,8,10-11H2,1-3H3.
What are the key properties of N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide?
N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide has a molecular weight of 279.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 159479938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).