N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine

C14H23N3OS — CID 79919706

IUPACN-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C14H23N3OS/c1-2-15-8-12-9-16-17(10-12)13-3-5-18-14(7-13)4-6-19-11-14/h9-10,13,15H,2-8,11H2,1H3
InChIKeyPVQPEZDZCUOVCU-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.22
Rot. Bonds4

About N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 79919706) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
PubChem CID79919706
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C14H23N3OS/c1-2-15-8-12-9-16-17(10-12)13-3-5-18-14(7-13)4-6-19-11-14/h9-10,13,15H,2-8,11H2,1H3
InChIKeyPVQPEZDZCUOVCU-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79910318
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
4-iodo-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole
CID 79911649
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole-4-sulfonyl chloride
CID 79911466
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
CID 79922823
methyl 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylate
CID 103108026
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79910310

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine (CID 79919706) is N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(C2CCOC3(CCSC3)C2)c1.
What is the InChIKey of N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is PVQPEZDZCUOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-15-8-12-9-16-17(10-12)13-3-5-18-14(7-13)4-6-19-11-14/h9-10,13,15H,2-8,11H2,1H3.
What are the key properties of N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 281.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79919706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).