(7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide

C8H13N3O2S — CID 169318602

IUPAC(7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide
SMILESCC(=O)N1CC2(C1)N[C@H](C(N)=O)CS2
InChIInChI=1S/C8H13N3O2S/c1-5(12)11-3-8(4-11)10-6(2-14-8)7(9)13/h6,10H,2-4H2,1H3,(H2,9,13)/t6-/m0/s1
InChIKeyCPPCSNMGFJSPQR-LURJTMIESA-N
MW215.28 g/mol
LogP-1.26
Rot. Bonds1

About (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide

(7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide (PubChem CID 169318602) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide.

Molecular Properties

Compound Name(7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide
PubChem CID169318602
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide
SMILESCC(=O)N1CC2(C1)N[C@H](C(N)=O)CS2
InChIInChI=1S/C8H13N3O2S/c1-5(12)11-3-8(4-11)10-6(2-14-8)7(9)13/h6,10H,2-4H2,1H3,(H2,9,13)/t6-/m0/s1
InChIKeyCPPCSNMGFJSPQR-LURJTMIESA-N
XLogP-1.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide
CID 169318375
ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 12900627
(3S)-7,9-dimethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773971
[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone
CID 169318560
methyl 1-thia-4-azaspiro[4.4]nonane-3-carboxylate;hydrochloride
CID 75485453
(3S)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid;hydrochloride
CID 52997275
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone
CID 169318350
(3R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-8-(2-amino-3-hydroxypropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 170385712
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
1-(7-acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 592389
(3S)-8,8-dioxo-1,8λ6-dithia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773867

Frequently Asked Questions

What is the IUPAC name of (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide?
The IUPAC name of (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide (CID 169318602) is (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide.
What is the SMILES notation for (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide?
The canonical SMILES for (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide is CC(=O)N1CC2(C1)N[C@H](C(N)=O)CS2.
What is the InChIKey of (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide?
The InChIKey is CPPCSNMGFJSPQR-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(12)11-3-8(4-11)10-6(2-14-8)7(9)13/h6,10H,2-4H2,1H3,(H2,9,13)/t6-/m0/s1.
What are the key properties of (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide?
(7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide has a molecular weight of 215.28 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-acetyl-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 169318602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).