2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide

C14H24N2O2S2 — CID 104827317

IUPAC2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
SMILESCC(NS(=O)(=O)CCSc1ccccc1N)C(C)(C)C
InChIInChI=1S/C14H24N2O2S2/c1-11(14(2,3)4)16-20(17,18)10-9-19-13-8-6-5-7-12(13)15/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyITDACLWYFRWMRE-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide

2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide (PubChem CID 104827317) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
PubChem CID104827317
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
SMILESCC(NS(=O)(=O)CCSc1ccccc1N)C(C)(C)C
InChIInChI=1S/C14H24N2O2S2/c1-11(14(2,3)4)16-20(17,18)10-9-19-13-8-6-5-7-12(13)15/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyITDACLWYFRWMRE-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 104827303
2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
CID 64927625
2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208337
2-(2-aminophenyl)sulfanyl-N-(2-methylprop-2-enyl)ethanesulfonamide
CID 114615068
2-(2-aminophenyl)sulfanyl-N-(3-methylbut-2-enyl)ethanesulfonamide
CID 106180578
2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
CID 83116775
2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide
CID 79231178
2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
CID 116786165
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
2-(2-aminophenyl)sulfanyl-N-(1-methyl-2-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106250267
2-(2-aminophenyl)sulfanyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
CID 106391968
2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 116786253

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide (CID 104827317) is 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide is CC(NS(=O)(=O)CCSc1ccccc1N)C(C)(C)C.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
The InChIKey is ITDACLWYFRWMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11(14(2,3)4)16-20(17,18)10-9-19-13-8-6-5-7-12(13)15/h5-8,11,16H,9-10,15H2,1-4H3.
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 104827317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).