N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide

C15H21N3O4S — CID 120711592

IUPACN-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
SMILESCC(C)(N)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H21N3O4S/c1-15(2,16)10-17-23(21,22)9-5-8-18-13(19)11-6-3-4-7-12(11)14(18)20/h3-4,6-7,17H,5,8-10,16H2,1-2H3
InChIKeyIHGHBGAZLYLBNW-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.33
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide

N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide (PubChem CID 120711592) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
PubChem CID120711592
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
SMILESCC(C)(N)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H21N3O4S/c1-15(2,16)10-17-23(21,22)9-5-8-18-13(19)11-6-3-4-7-12(11)14(18)20/h3-4,6-7,17H,5,8-10,16H2,1-2H3
InChIKeyIHGHBGAZLYLBNW-UHFFFAOYSA-N
XLogP0.33
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
2-(3-tert-butylsulfonylpropyl)isoindole-1,3-dione
CID 163975331
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methylpiperidin-4-yl)methyl]propane-1-sulfonamide;hydrochloride
CID 120720602
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
3-(1,3-dioxoisoindol-2-yl)-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide
CID 120706456
3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
CID 19261658
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide;hydrochloride
CID 120709020
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
CID 97307677
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride
CID 120713685

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide (CID 120711592) is N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide is CC(C)(N)CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
The InChIKey is IHGHBGAZLYLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(2,16)10-17-23(21,22)9-5-8-18-13(19)11-6-3-4-7-12(11)14(18)20/h3-4,6-7,17H,5,8-10,16H2,1-2H3.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide?
N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 120711592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).