1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine

C15H27NO4S — CID 105017135

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
SMILESCNC(C1CCOC2(CCOC2)C1)C1CCCCS1(=O)=O
InChIInChI=1S/C15H27NO4S/c1-16-14(13-4-2-3-9-21(13,17)18)12-5-7-20-15(10-12)6-8-19-11-15/h12-14,16H,2-11H2,1H3
InChIKeyDLMNXNWTXWZYJR-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.13
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine (PubChem CID 105017135) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
PubChem CID105017135
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
SMILESCNC(C1CCOC2(CCOC2)C1)C1CCCCS1(=O)=O
InChIInChI=1S/C15H27NO4S/c1-16-14(13-4-2-3-9-21(13,17)18)12-5-7-20-15(10-12)6-8-19-11-15/h12-14,16H,2-11H2,1H3
InChIKeyDLMNXNWTXWZYJR-UHFFFAOYSA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylcyclohexyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 107190198
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605
1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 115824800
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 115336779
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79911771
2-cyclohexylsulfanyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylethanamine
CID 79910267
[2,6-dioxaspiro[4.5]decan-9-yl(oxan-4-yl)methyl]hydrazine
CID 105229794
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105012176

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine (CID 105017135) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine is CNC(C1CCOC2(CCOC2)C1)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
The InChIKey is DLMNXNWTXWZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-16-14(13-4-2-3-9-21(13,17)18)12-5-7-20-15(10-12)6-8-19-11-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine has a molecular weight of 317.45 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105017135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).