8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane

C11H21N3O5S — CID 112994198

IUPAC8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCN(C)S(=O)(=O)NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21N3O5S/c1-13(2)20(16,17)12-9-10(15)14-5-3-11(4-6-14)18-7-8-19-11/h12H,3-9H2,1-2H3
InChIKeyIUEVVIJLDLMFCS-UHFFFAOYSA-N
MW307.37 g/mol
LogP-1.25
Rot. Bonds4

About 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112994198) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112994198
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCN(C)S(=O)(=O)NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21N3O5S/c1-13(2)20(16,17)12-9-10(15)14-5-3-11(4-6-14)18-7-8-19-11/h12H,3-9H2,1-2H3
InChIKeyIUEVVIJLDLMFCS-UHFFFAOYSA-N
XLogP-1.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
n-(2-Methoxyethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 53525519
2-Amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;yttrium
CID 57797514
2-Amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;ethane;propane
CID 143188575
2-Amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane
CID 143188610
2-[2-(Diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 3229642
2-[[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium
CID 7437314
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,2-dimethylpropanamide
CID 38376543
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide
CID 45000079
methyl N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]carbamate
CID 47369570

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 112994198) is 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane is CN(C)S(=O)(=O)NCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is IUEVVIJLDLMFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-13(2)20(16,17)12-9-10(15)14-5-3-11(4-6-14)18-7-8-19-11/h12H,3-9H2,1-2H3.
What are the key properties of 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 307.37 g/mol, XLogP of -1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112994198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).