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

C15H24N4O2S — CID 124810045

IUPACN,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1CSC2(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/t13-/m0/s1
InChIKeyUNPVDADBBFBNIZ-ZDUSSCGKSA-N
MW324.45 g/mol
LogP0.58
Rot. Bonds5

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

N,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (PubChem CID 124810045) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
PubChem CID124810045
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1CSC2(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/t13-/m0/s1
InChIKeyUNPVDADBBFBNIZ-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7S)-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-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (CID 124810045) is N,N-dimethyl-2-[[(7S)-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-[[(7S)-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-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1cnn(C)c1)C2.
What is the InChIKey of N,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The InChIKey is UNPVDADBBFBNIZ-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
N,N-dimethyl-2-[[(7S)-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-[[(7S)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is sourced from PubChem (CID 124810045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).