N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H30N2OS — CID 106632717

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCN(CC1CCCCN1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H30N2OS/c1-2-18(12-14-5-3-4-8-17-14)15-6-9-19-16(11-15)7-10-20-13-16/h14-15,17H,2-13H2,1H3
InChIKeyQESLEDOMRNDYAO-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 106632717) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID106632717
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCN(CC1CCCCN1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H30N2OS/c1-2-18(12-14-5-3-4-8-17-14)15-6-9-19-16(11-15)7-10-20-13-16/h14-15,17H,2-13H2,1H3
InChIKeyQESLEDOMRNDYAO-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79902523
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900011
2-ethyl-N,2-dimethyl-N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106622844
N-ethyl-N-(piperidin-2-ylmethyl)-2-propan-2-yloxan-4-amine
CID 106622747
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 106599659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 106632717) is N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is CCN(CC1CCCCN1)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is QESLEDOMRNDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-2-18(12-14-5-3-4-8-17-14)15-6-9-19-16(11-15)7-10-20-13-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 298.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 106632717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).