N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine

C12H19NO2S — CID 60641218

IUPACN-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-12(2,3)13-9-10-16(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyAZIYJHOUXOKJKY-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine

N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine (PubChem CID 60641218) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine
PubChem CID60641218
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-12(2,3)13-9-10-16(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyAZIYJHOUXOKJKY-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
N-[2-(tert-butylthio)ethyl]-4-(methylthio)benzenesulfonamide
CID 2231398
N-(2-tert-butylsulfanylethyl)benzenesulfonamide
CID 2277133
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
CID 24747372
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
4-(Benzenesulfonyl)butan-1-amine
CID 28753392
4-(benzenesulfonyl)-N,N-dimethylbutan-1-amine
CID 73351203
3-(Phenylsulfonyl)pyrrolidine hydrochloride
CID 44118718
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine (CID 60641218) is N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is AZIYJHOUXOKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,3)13-9-10-16(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine?
N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60641218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).