(5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H21N5O2S — CID 124874688

IUPAC(5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)Cc1nsc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1
InChIInChI=1S/C14H21N5O2S/c1-8(2)6-10-16-13(22-19-10)15-7-9-4-3-5-14(9)11(20)17-12(21)18-14/h8-9H,3-7H2,1-2H3,(H,15,16,19)(H2,17,18,20,21)/t9-,14-/m0/s1
InChIKeyUIRCOGJQECFLJL-XPTSAGLGSA-N
MW323.42 g/mol
LogP1.53
Rot. Bonds5

About (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 124874688) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID124874688
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name(5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)Cc1nsc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1
InChIInChI=1S/C14H21N5O2S/c1-8(2)6-10-16-13(22-19-10)15-7-9-4-3-5-14(9)11(20)17-12(21)18-14/h8-9H,3-7H2,1-2H3,(H,15,16,19)(H2,17,18,20,21)/t9-,14-/m0/s1
InChIKeyUIRCOGJQECFLJL-XPTSAGLGSA-N
XLogP1.53
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-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

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 124874688) is (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(C)Cc1nsc(NC[C@@H]2CCC[C@]23NC(=O)NC3=O)n1.
What is the InChIKey of (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UIRCOGJQECFLJL-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-8(2)6-10-16-13(22-19-10)15-7-9-4-3-5-14(9)11(20)17-12(21)18-14/h8-9H,3-7H2,1-2H3,(H,15,16,19)(H2,17,18,20,21)/t9-,14-/m0/s1.
What are the key properties of (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 323.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 124874688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).