N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine

C14H23N3OS — CID 79922823

IUPACN-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
SMILESCNCc1cn(C2CCOC3(CCSC3)C2)nc1C
InChIInChI=1S/C14H23N3OS/c1-11-12(8-15-2)9-17(16-11)13-3-5-18-14(7-13)4-6-19-10-14/h9,13,15H,3-8,10H2,1-2H3
InChIKeyITDXWUWTJSNHLZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.14
Rot. Bonds3

About N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine

N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine (PubChem CID 79922823) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
PubChem CID79922823
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
SMILESCNCc1cn(C2CCOC3(CCSC3)C2)nc1C
InChIInChI=1S/C14H23N3OS/c1-11-12(8-15-2)9-17(16-11)13-3-5-18-14(7-13)4-6-19-10-14/h9,13,15H,3-8,10H2,1-2H3
InChIKeyITDXWUWTJSNHLZ-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 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 ≤ 52.14
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
methyl 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylate
CID 103108026
4-iodo-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole
CID 79911649
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79919153
2-methoxy-N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79910318
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole-4-sulfonyl chloride
CID 79911466
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
1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
CID 79910072
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
CID 79920205
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344151

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine (CID 79922823) is N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine is CNCc1cn(C2CCOC3(CCSC3)C2)nc1C.
What is the InChIKey of N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine?
The InChIKey is ITDXWUWTJSNHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-12(8-15-2)9-17(16-11)13-3-5-18-14(7-13)4-6-19-10-14/h9,13,15H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine?
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 79922823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).