N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C13H22N2O5S — CID 108989379

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O5S/c1-14(11-2-9-21(17,18)10-11)12(16)15-5-3-13(4-6-15)19-7-8-20-13/h11H,2-10H2,1H3
InChIKeyAWEJHSKRLJTZJN-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.06
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 108989379) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID108989379
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCN(C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O5S/c1-14(11-2-9-21(17,18)10-11)12(16)15-5-3-13(4-6-15)19-7-8-20-13/h11H,2-10H2,1H3
InChIKeyAWEJHSKRLJTZJN-UHFFFAOYSA-N
XLogP0.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108964719
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone
CID 109122924
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
CID 108989402
2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618623
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 136541398
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 112896169
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61205598

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 108989379) is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CN(C(=O)N1CCC2(CC1)OCCO2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is AWEJHSKRLJTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-14(11-2-9-21(17,18)10-11)12(16)15-5-3-13(4-6-15)19-7-8-20-13/h11H,2-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 108989379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).