(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H26N4O3S — CID 9330991

IUPAC(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(C(=O)c3cccs3)CC1)C2=O
InChIInChI=1S/C19H26N4O3S/c1-14-5-2-3-7-19(14)17(25)23(18(26)20-19)13-21-8-10-22(11-9-21)16(24)15-6-4-12-27-15/h4,6,12,14H,2-3,5,7-11,13H2,1H3,(H,20,26)/t14-,19+/m1/s1
InChIKeyLWOIBBWFWOJMIP-KUHUBIRLSA-N
MW390.51 g/mol
LogP1.96
Rot. Bonds3

About (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9330991) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9330991
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(C(=O)c3cccs3)CC1)C2=O
InChIInChI=1S/C19H26N4O3S/c1-14-5-2-3-7-19(14)17(25)23(18(26)20-19)13-21-8-10-22(11-9-21)16(24)15-6-4-12-27-15/h4,6,12,14H,2-3,5,7-11,13H2,1H3,(H,20,26)/t14-,19+/m1/s1
InChIKeyLWOIBBWFWOJMIP-KUHUBIRLSA-N
XLogP1.96
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,6R)-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9298092
(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30614782
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 51268028
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345
(5S,6R)-6-methyl-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172299
N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40881449
1-ethyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9331419
2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 55921450
(5S,6S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31055657
6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55429659

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9330991) is (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(C(=O)c3cccs3)CC1)C2=O.
What is the InChIKey of (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LWOIBBWFWOJMIP-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-5-2-3-7-19(14)17(25)23(18(26)20-19)13-21-8-10-22(11-9-21)16(24)15-6-4-12-27-15/h4,6,12,14H,2-3,5,7-11,13H2,1H3,(H,20,26)/t14-,19+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 390.51 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9330991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).