(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

C12H13N3O3S — CID 129395464

IUPAC(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccsc3)C2)N1
InChIInChI=1S/C12H13N3O3S/c16-9(8-2-5-19-6-8)15-4-1-3-12(7-15)10(17)13-11(18)14-12/h2,5-6H,1,3-4,7H2,(H2,13,14,17,18)/t12-/m0/s1
InChIKeyLWQNJEPACNTRLR-LBPRGKRZSA-N
MW279.32 g/mol
LogP0.56
Rot. Bonds1

About (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 129395464) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID129395464
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccsc3)C2)N1
InChIInChI=1S/C12H13N3O3S/c16-9(8-2-5-19-6-8)15-4-1-3-12(7-15)10(17)13-11(18)14-12/h2,5-6H,1,3-4,7H2,(H2,13,14,17,18)/t12-/m0/s1
InChIKeyLWQNJEPACNTRLR-LBPRGKRZSA-N
XLogP0.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115287620
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737
9-prop-1-en-2-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 70214165
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
7-(5-hydroxypyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996341
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
9-(1,3-dimethylpyrazole-4-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 102801969
9-(2-bromopropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107905582
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 129395464) is (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccsc3)C2)N1.
What is the InChIKey of (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LWQNJEPACNTRLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-9(8-2-5-19-6-8)15-4-1-3-12(7-15)10(17)13-11(18)14-12/h2,5-6H,1,3-4,7H2,(H2,13,14,17,18)/t12-/m0/s1.
What are the key properties of (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 279.32 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 129395464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).