2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione

C17H20N2O4S — CID 153296319

IUPAC2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione
SMILESCC(N=S(=O)=O)C1CCC(CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H20N2O4S/c1-11(18-24(22)23)13-8-6-12(7-9-13)10-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-5,11-13H,6-10H2,1H3
InChIKeyBBOGXGAUQKLWOS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.54
Rot. Bonds4

About 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione

2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione (PubChem CID 153296319) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione
PubChem CID153296319
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione
SMILESCC(N=S(=O)=O)C1CCC(CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H20N2O4S/c1-11(18-24(22)23)13-8-6-12(7-9-13)10-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-5,11-13H,6-10H2,1H3
InChIKeyBBOGXGAUQKLWOS-UHFFFAOYSA-N
XLogP2.54
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139958945
4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-sulfonyl chloride
CID 146279114
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
2-[[4-(hexoxymethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139959225
2-[[4-(benzylsulfanylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 139958968
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
2-(1,3-dithiolan-2-ylmethyl)isoindole-1,3-dione
CID 135060706
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide
CID 56736911
2-(cyclobutylmethyl)-5-iodoisoindole-1,3-dione
CID 79784754
2-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 118735748

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione (CID 153296319) is 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione is CC(N=S(=O)=O)C1CCC(CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione?
The InChIKey is BBOGXGAUQKLWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11(18-24(22)23)13-8-6-12(7-9-13)10-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-5,11-13H,6-10H2,1H3.
What are the key properties of 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione?
2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione has a molecular weight of 348.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(sulfonylamino)ethyl]cyclohexyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 153296319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).