(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H27N3O4S — CID 98432635

IUPAC(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCN(CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H27N3O4S/c1-3-18(13-7-9-24(22,23)10-13)11-19-14(20)16(17-15(19)21)8-5-4-6-12(16)2/h12-13H,3-11H2,1-2H3,(H,17,21)/t12-,13-,16-/m0/s1
InChIKeyUBVLDGGHUHYGFA-XEZPLFJOSA-N
MW357.48 g/mol
LogP0.95
Rot. Bonds4

About (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 98432635) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID98432635
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCN(CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H27N3O4S/c1-3-18(13-7-9-24(22,23)10-13)11-19-14(20)16(17-15(19)21)8-5-4-6-12(16)2/h12-13H,3-11H2,1-2H3,(H,17,21)/t12-,13-,16-/m0/s1
InChIKeyUBVLDGGHUHYGFA-XEZPLFJOSA-N
XLogP0.95
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-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

3-[[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605440
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11923048
3-[[cyclohexyl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441994
(5S,6S)-3-[[ethyl(2-methylprop-2-enyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51969501
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
(5R,6S)-3-[[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27390185
3-[[[(3R)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9281374
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
3-[(2,2-dichlorocyclopropyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18171164
(5R)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9242313
(5S)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9242321

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 98432635) is (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCN(CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UBVLDGGHUHYGFA-XEZPLFJOSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-3-18(13-7-9-24(22,23)10-13)11-19-14(20)16(17-15(19)21)8-5-4-6-12(16)2/h12-13H,3-11H2,1-2H3,(H,17,21)/t12-,13-,16-/m0/s1.
What are the key properties of (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 357.48 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-3-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 98432635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).