3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide

C10H16N2O4S — CID 136518272

IUPAC3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C(=O)C2CC2C1=O
InChIInChI=1S/C10H16N2O4S/c1-11(2)17(15,16)5-3-4-12-9(13)7-6-8(7)10(12)14/h7-8H,3-6H2,1-2H3
InChIKeyWCONOCNADBRBAQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.73
Rot. Bonds5

About 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide

3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide (PubChem CID 136518272) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide
PubChem CID136518272
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C(=O)C2CC2C1=O
InChIInChI=1S/C10H16N2O4S/c1-11(2)17(15,16)5-3-4-12-9(13)7-6-8(7)10(12)14/h7-8H,3-6H2,1-2H3
InChIKeyWCONOCNADBRBAQ-UHFFFAOYSA-N
XLogP-0.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
CID 19261658
4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)butanenitrile
CID 62666655
3-hex-5-ynyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106209099
7-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)heptanal
CID 23289990
2-(5-bromopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512925
2-(5-aminopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391513
6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide
CID 64836259
2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide
CID 64829835
2-[5-(dimethylamino)pentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 177117724
4-(3-chloropropyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 86637149
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 121221286
3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride
CID 154910770

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide (CID 136518272) is 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1C(=O)C2CC2C1=O.
What is the InChIKey of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is WCONOCNADBRBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-11(2)17(15,16)5-3-4-12-9(13)7-6-8(7)10(12)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide?
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 260.31 g/mol, XLogP of -0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 136518272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).