N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide

C16H22N2O6S2 — CID 1433303

IUPACN-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O6S2/c19-25(20,17-13-1-2-13)14-3-5-15(6-4-14)26(21,22)18-9-7-16(8-10-18)23-11-12-24-16/h3-6,13,17H,1-2,7-12H2
InChIKeyUTRVPEIHNZHTEW-UHFFFAOYSA-N
MW402.49 g/mol
LogP0.65
Rot. Bonds5

About N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide

N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide (PubChem CID 1433303) has the molecular formula C16H22N2O6S2 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
PubChem CID1433303
Molecular FormulaC16H22N2O6S2
Molecular Weight402.49 g/mol
Exact Mass402.09
IUPAC NameN-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O6S2/c19-25(20,17-13-1-2-13)14-3-5-15(6-4-14)26(21,22)18-9-7-16(8-10-18)23-11-12-24-16/h3-6,13,17H,1-2,7-12H2
InChIKeyUTRVPEIHNZHTEW-UHFFFAOYSA-N
XLogP0.65
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide (CID 1433303) is N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
The InChIKey is UTRVPEIHNZHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S2/c19-25(20,17-13-1-2-13)14-3-5-15(6-4-14)26(21,22)18-9-7-16(8-10-18)23-11-12-24-16/h3-6,13,17H,1-2,7-12H2.
What are the key properties of N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide has a molecular weight of 402.49 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 1433303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).