1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine

C14H23N3OS — CID 79919128

IUPAC1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C14H23N3OS/c1-11(15)6-12-8-16-17(9-12)13-2-4-18-14(7-13)3-5-19-10-14/h8-9,11,13H,2-7,10,15H2,1H3
InChIKeyLAOAZXPCXHXESH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine

1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine (PubChem CID 79919128) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
PubChem CID79919128
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cnn(C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C14H23N3OS/c1-11(15)6-12-8-16-17(9-12)13-2-4-18-14(7-13)3-5-19-10-14/h8-9,11,13H,2-7,10,15H2,1H3
InChIKeyLAOAZXPCXHXESH-UHFFFAOYSA-N
XLogP2.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
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
2-methoxy-N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79910318
1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
CID 79920068
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole-4-sulfonyl chloride
CID 79911466
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
CID 79920296
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
CID 79922823
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
2-methyl-N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 79910571

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine (CID 79919128) is 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine is CC(N)Cc1cnn(C2CCOC3(CCSC3)C2)c1.
What is the InChIKey of 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine?
The InChIKey is LAOAZXPCXHXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(15)6-12-8-16-17(9-12)13-2-4-18-14(7-13)3-5-19-10-14/h8-9,11,13H,2-7,10,15H2,1H3.
What are the key properties of 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine?
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 79919128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).