(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione

C16H20N2O4S — CID 99781725

IUPAC(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-10-8-11(4-7-13(10)23(3,21)22)9-18-14(19)16(2,12-5-6-12)17-15(18)20/h4,7-8,12H,5-6,9H2,1-3H3,(H,17,20)/t16-/m0/s1
InChIKeyRRKIKSVVEHFUHR-INIZCTEOSA-N
MW336.41 g/mol
LogP1.62
Rot. Bonds4

About (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 99781725) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID99781725
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1S(C)(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-10-8-11(4-7-13(10)23(3,21)22)9-18-14(19)16(2,12-5-6-12)17-15(18)20/h4,7-8,12H,5-6,9H2,1-3H3,(H,17,20)/t16-/m0/s1
InChIKeyRRKIKSVVEHFUHR-INIZCTEOSA-N
XLogP1.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione (CID 99781725) is (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1S(C)(=O)=O.
What is the InChIKey of (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is RRKIKSVVEHFUHR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-8-11(4-7-13(10)23(3,21)22)9-18-14(19)16(2,12-5-6-12)17-15(18)20/h4,7-8,12H,5-6,9H2,1-3H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 336.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99781725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).