8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C17H24N2O6S2 — CID 1433287

IUPAC8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O6S2/c20-26(21,18-9-1-2-10-18)15-3-5-16(6-4-15)27(22,23)19-11-7-17(8-12-19)24-13-14-25-17/h3-6H,1-2,7-14H2
InChIKeyAMEPHZDOIFSCLH-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.00
Rot. Bonds4

About 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 1433287) has the molecular formula C17H24N2O6S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID1433287
Molecular FormulaC17H24N2O6S2
Molecular Weight416.52 g/mol
Exact Mass416.11
IUPAC Name8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O6S2/c20-26(21,18-9-1-2-10-18)15-3-5-16(6-4-15)27(22,23)19-11-7-17(8-12-19)24-13-14-25-17/h3-6H,1-2,7-14H2
InChIKeyAMEPHZDOIFSCLH-UHFFFAOYSA-N
XLogP1.00
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
N-Butyl-4-(1,4-dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-benzenesulfonamide
CID 3221375
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
CID 1433303
8-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 1433312
8-[4-(3-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 3221368
4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
CID 71364073
4-(4-Ethoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 71364075
4-{1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N,N-dimethylbenzene-1-sulfonamide
CID 1433306

Frequently Asked Questions

What is the IUPAC name of 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 1433287) is 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCCC1.
What is the InChIKey of 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AMEPHZDOIFSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S2/c20-26(21,18-9-1-2-10-18)15-3-5-16(6-4-15)27(22,23)19-11-7-17(8-12-19)24-13-14-25-17/h3-6H,1-2,7-14H2.
What are the key properties of 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 416.52 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 1433287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).