(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H22N2O3S — CID 99857059

IUPAC(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C)C[C@@]2(NC(=O)N(CCc3cccs3)C2=O)C(C)(C)O1
InChIInChI=1S/C16H22N2O3S/c1-14(2)10-16(15(3,4)21-14)12(19)18(13(20)17-16)8-7-11-6-5-9-22-11/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)/t16-/m0/s1
InChIKeyRWCPEPNFZBERIL-INIZCTEOSA-N
MW322.43 g/mol
LogP2.56
Rot. Bonds3

About (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 99857059) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID99857059
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1(C)C[C@@]2(NC(=O)N(CCc3cccs3)C2=O)C(C)(C)O1
InChIInChI=1S/C16H22N2O3S/c1-14(2)10-16(15(3,4)21-14)12(19)18(13(20)17-16)8-7-11-6-5-9-22-11/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)/t16-/m0/s1
InChIKeyRWCPEPNFZBERIL-INIZCTEOSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
CID 115945934
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64879048
3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47054834
(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42440096
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
5,5-dimethyl-3-[3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]imidazolidine-2,4-dione
CID 154773697
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
(5R)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277499
5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45247531
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880154

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 99857059) is (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1(C)C[C@@]2(NC(=O)N(CCc3cccs3)C2=O)C(C)(C)O1.
What is the InChIKey of (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RWCPEPNFZBERIL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-14(2)10-16(15(3,4)21-14)12(19)18(13(20)17-16)8-7-11-6-5-9-22-11/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 322.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 99857059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).