N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride

C9H18ClN3O4S — CID 3057777

IUPACN,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CNC(=O)O2.Cl
InChIInChI=1S/C9H17N3O4S.ClH/c1-11(2)17(14,15)12-5-3-9(4-6-12)7-10-8(13)16-9;/h3-7H2,1-2H3,(H,10,13);1H
InChIKeyJJLBLTKTVGHJAL-UHFFFAOYSA-N
MW299.78 g/mol
LogP-0.21
Rot. Bonds2

About N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride

N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride (PubChem CID 3057777) has the molecular formula C9H18ClN3O4S and a molecular weight of 299.78 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride
PubChem CID3057777
Molecular FormulaC9H18ClN3O4S
Molecular Weight299.78 g/mol
Exact Mass299.07
IUPAC NameN,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CNC(=O)O2.Cl
InChIInChI=1S/C9H17N3O4S.ClH/c1-11(2)17(14,15)12-5-3-9(4-6-12)7-10-8(13)16-9;/h3-7H2,1-2H3,(H,10,13);1H
InChIKeyJJLBLTKTVGHJAL-UHFFFAOYSA-N
XLogP-0.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944312
1-Oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944313
3-Ethyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one hydrochloride
CID 117272867
Tert-butyl N-[(1-chlorosulfonylpiperidin-4-yl)methyl]carbamate
CID 154577279
3-Ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286526
N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide
CID 3057778
Tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
3-Propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286470
3-Butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286551
8-Ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622668
1-Oxa-3,8-diazaspiro[4.5]decan-2-one, acetate salt
CID 21268372
8,8-Dimethyl-2-oxo-1-oxa-3-aza-8-azoniaspiro[4.5]decane chloride
CID 46202673

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride (CID 3057777) is N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride is CN(C)S(=O)(=O)N1CCC2(CC1)CNC(=O)O2.Cl.
What is the InChIKey of N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride?
The InChIKey is JJLBLTKTVGHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S.ClH/c1-11(2)17(14,15)12-5-3-9(4-6-12)7-10-8(13)16-9;/h3-7H2,1-2H3,(H,10,13);1H.
What are the key properties of N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride?
N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride has a molecular weight of 299.78 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide;hydrochloride is sourced from PubChem (CID 3057777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).