(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C16H20N2O4S — CID 97247001

IUPAC(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C16H20N2O4S/c1-16(13-5-3-2-4-6-13)14(19)18(15(20)17-16)11-12-7-9-23(21,22)10-8-12/h2-6,12H,7-11H2,1H3,(H,17,20)/t16-/m1/s1
InChIKeyKFZZYVLNLMBKLR-MRXNPFEDSA-N
MW336.41 g/mol
LogP1.28
Rot. Bonds3

About (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 97247001) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID97247001
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C16H20N2O4S/c1-16(13-5-3-2-4-6-13)14(19)18(15(20)17-16)11-12-7-9-23(21,22)10-8-12/h2-6,12H,7-11H2,1H3,(H,17,20)/t16-/m1/s1
InChIKeyKFZZYVLNLMBKLR-MRXNPFEDSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110245816
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2646971
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 40846749
5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 154743155
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 40846751
N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40847111
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7487042
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 97247001) is (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is C[C@]1(c2ccccc2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O.
What is the InChIKey of (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is KFZZYVLNLMBKLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-16(13-5-3-2-4-6-13)14(19)18(15(20)17-16)11-12-7-9-23(21,22)10-8-12/h2-6,12H,7-11H2,1H3,(H,17,20)/t16-/m1/s1.
What are the key properties of (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 336.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 97247001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).