(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione

C14H26N2O4S — CID 164639235

IUPAC(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione
SMILESCC(C)S(=O)(=O)CCCN1C(=O)N[C@@](C)(C(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O4S/c1-10(2)21(19,20)9-7-8-16-11(17)14(6,13(3,4)5)15-12(16)18/h10H,7-9H2,1-6H3,(H,15,18)/t14-/m1/s1
InChIKeyKSDGTPTUHWOWGG-CQSZACIVSA-N
MW318.44 g/mol
LogP1.56
Rot. Bonds5

About (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione

(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione (PubChem CID 164639235) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione
PubChem CID164639235
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione
SMILESCC(C)S(=O)(=O)CCCN1C(=O)N[C@@](C)(C(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O4S/c1-10(2)21(19,20)9-7-8-16-11(17)14(6,13(3,4)5)15-12(16)18/h10H,7-9H2,1-6H3,(H,15,18)/t14-/m1/s1
InChIKeyKSDGTPTUHWOWGG-CQSZACIVSA-N
XLogP1.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.56
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-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione (CID 164639235) is (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione is CC(C)S(=O)(=O)CCCN1C(=O)N[C@@](C)(C(C)(C)C)C1=O.
What is the InChIKey of (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione?
The InChIKey is KSDGTPTUHWOWGG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-10(2)21(19,20)9-7-8-16-11(17)14(6,13(3,4)5)15-12(16)18/h10H,7-9H2,1-6H3,(H,15,18)/t14-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione?
(5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione has a molecular weight of 318.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-5-methyl-3-(3-propan-2-ylsulfonylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 164639235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).