N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

C15H24N4O2S — CID 131658930

IUPACN,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)COC1CSC2(C1)CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H24N4O2S/c1-17(2)14(20)8-21-13-4-15(22-9-13)10-19(11-15)7-12-5-16-18(3)6-12/h5-6,13H,4,7-11H2,1-3H3
InChIKeyUNPVDADBBFBNIZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.58
Rot. Bonds5

About N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (PubChem CID 131658930) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
PubChem CID131658930
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)COC1CSC2(C1)CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H24N4O2S/c1-17(2)14(20)8-21-13-4-15(22-9-13)10-19(11-15)7-12-5-16-18(3)6-12/h5-6,13H,4,7-11H2,1-3H3
InChIKeyUNPVDADBBFBNIZ-UHFFFAOYSA-N
XLogP0.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide;2,2,2-trifluoroacetic acid
CID 155840659
2-[[2-[(1-Ethylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155859998
N,N-dimethyl-2-[[(7R)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 124810044
N,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 124810045
(7S)-7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 124814984
(7R)-7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 124814986
[(7R)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 124818724
[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 124818725
2-[[(7S)-2-[(1-ethylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124831320
2-[[(7R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124831321
(7-Ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 131645141
2-[[2-[(1-Ethylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131653796

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (CID 131658930) is N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is CN(C)C(=O)COC1CSC2(C1)CN(Cc1cnn(C)c1)C2.
What is the InChIKey of N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The InChIKey is UNPVDADBBFBNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-17(2)14(20)8-21-13-4-15(22-9-13)10-19(11-15)7-12-5-16-18(3)6-12/h5-6,13H,4,7-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide has a molecular weight of 324.45 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is sourced from PubChem (CID 131658930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).