N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine

C17H26N2OS — CID 106755665

IUPACN-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H26N2OS/c1-3-18-16(14-4-7-19-13(2)10-14)15-5-8-20-17(11-15)6-9-21-12-17/h4,7,10,15-16,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyYVKLFQJTURAPHK-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.34
Rot. Bonds4

About N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 106755665) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID106755665
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H26N2OS/c1-3-18-16(14-4-7-19-13(2)10-14)15-5-8-20-17(11-15)6-9-21-12-17/h4,7,10,15-16,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyYVKLFQJTURAPHK-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine 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

N-[(5-methyl-3-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170790
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692724
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170671
N-[(3-methylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017670
N-[(2-chlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908708
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine
CID 79907507
N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107503959
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755659
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrimidin-4-yl)methyl]ethanamine
CID 79909740
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 106755665) is N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(c1ccnc(C)c1)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is YVKLFQJTURAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-18-16(14-4-7-19-13(2)10-14)15-5-8-20-17(11-15)6-9-21-12-17/h4,7,10,15-16,18H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 306.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 106755665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).