1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide

C21H29N3O6S — CID 46834730

IUPAC1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide
SMILESO=C1N(CC2CC2)c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2C12OCCCO2
InChIInChI=1S/C21H29N3O6S/c25-20-21(29-10-1-11-30-21)18-14-17(4-5-19(18)24(20)15-16-2-3-16)31(26,27)22-6-7-23-8-12-28-13-9-23/h4-5,14,16,22H,1-3,6-13,15H2
InChIKeyPZFIUWUCFMAPIE-UHFFFAOYSA-N
MW451.55 g/mol
LogP0.64
Rot. Bonds7

About 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide

1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide (PubChem CID 46834730) has the molecular formula C21H29N3O6S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide
PubChem CID46834730
Molecular FormulaC21H29N3O6S
Molecular Weight451.55 g/mol
Exact Mass451.18
IUPAC Name1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide
SMILESO=C1N(CC2CC2)c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2C12OCCCO2
InChIInChI=1S/C21H29N3O6S/c25-20-21(29-10-1-11-30-21)18-14-17(4-5-19(18)24(20)15-16-2-3-16)31(26,27)22-6-7-23-8-12-28-13-9-23/h4-5,14,16,22H,1-3,6-13,15H2
InChIKeyPZFIUWUCFMAPIE-UHFFFAOYSA-N
XLogP0.64
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 154292351
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532565
1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 90721733
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
1'-(cyclopropylmethyl)-5'-[(2,5-dichlorophenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 91565461
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide?
The IUPAC name of 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide (CID 46834730) is 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide.
What is the SMILES notation for 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide?
The canonical SMILES for 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide is O=C1N(CC2CC2)c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2C12OCCCO2.
What is the InChIKey of 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide?
The InChIKey is PZFIUWUCFMAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S/c25-20-21(29-10-1-11-30-21)18-14-17(4-5-19(18)24(20)15-16-2-3-16)31(26,27)22-6-7-23-8-12-28-13-9-23/h4-5,14,16,22H,1-3,6-13,15H2.
What are the key properties of 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide?
1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide has a molecular weight of 451.55 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-sulfonamide is sourced from PubChem (CID 46834730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).