1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine

C15H27NO3S — CID 115336779

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(C1CCOC2(CCCC2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27NO3S/c1-16-14(13-5-9-20(17,18)11-13)12-4-8-19-15(10-12)6-2-3-7-15/h12-14,16H,2-11H2,1H3
InChIKeyQALCSBFZDHXFJF-UHFFFAOYSA-N
MW301.45 g/mol
LogP1.75
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine

1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 115336779) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID115336779
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(C1CCOC2(CCCC2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27NO3S/c1-16-14(13-5-9-20(17,18)11-13)12-4-8-19-15(10-12)6-2-3-7-15/h12-14,16H,2-11H2,1H3
InChIKeyQALCSBFZDHXFJF-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine with MolForge

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Related Compounds

1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105170225
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016820
N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016944
1-(4-ethylcyclohexyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912030
(1,1-dioxothiolan-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115336503
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 105017135
2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112720
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
1-(1,4-dithian-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79965869
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 115336779) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine is CNC(C1CCOC2(CCCC2)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is QALCSBFZDHXFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-16-14(13-5-9-20(17,18)11-13)12-4-8-19-15(10-12)6-2-3-7-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine?
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 301.45 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 115336779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).