2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C16H29NO3S — CID 105170225

IUPAC2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCNC(CC1CCS(=O)(=O)C1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO3S/c1-17-15(10-13-5-9-21(18,19)12-13)14-4-8-20-16(11-14)6-2-3-7-16/h13-15,17H,2-12H2,1H3
InChIKeyBUGZDZJDWHWKOP-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.14
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 105170225) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID105170225
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCNC(CC1CCS(=O)(=O)C1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO3S/c1-17-15(10-13-5-9-21(18,19)12-13)14-4-8-20-16(11-14)6-2-3-7-16/h13-15,17H,2-12H2,1H3
InChIKeyBUGZDZJDWHWKOP-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine with MolForge

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Related Compounds

2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112720
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 115336779
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
CID 105166263
2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169207
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 105155339
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 105170225) is 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CNC(CC1CCS(=O)(=O)C1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is BUGZDZJDWHWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-17-15(10-13-5-9-21(18,19)12-13)14-4-8-20-16(11-14)6-2-3-7-16/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 315.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 105170225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).