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

C15H22N2O6S2 — CID 1433306

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H22N2O6S2/c1-16(2)24(18,19)13-3-5-14(6-4-13)25(20,21)17-9-7-15(8-10-17)22-11-12-23-15/h3-6H,7-12H2,1-2H3
InChIKeyGTFDZWOZZQXWIC-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.46
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 1433306) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID1433306
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H22N2O6S2/c1-16(2)24(18,19)13-3-5-14(6-4-13)25(20,21)17-9-7-15(8-10-17)22-11-12-23-15/h3-6H,7-12H2,1-2H3
InChIKeyGTFDZWOZZQXWIC-UHFFFAOYSA-N
XLogP0.46
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide (CID 1433306) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is GTFDZWOZZQXWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-16(2)24(18,19)13-3-5-14(6-4-13)25(20,21)17-9-7-15(8-10-17)22-11-12-23-15/h3-6H,7-12H2,1-2H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 1433306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).