(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione

C15H26N4O4S — CID 59794402

IUPAC(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H26N4O4S/c1-15(13(20)16-14(21)17-15)11-24(22,23)19-9-5-12(6-10-19)18-7-3-2-4-8-18/h12H,2-11H2,1H3,(H2,16,17,20,21)/t15-/m1/s1
InChIKeyLTQZOCPSXRHNMV-OAHLLOKOSA-N
MW358.46 g/mol
LogP-0.14
Rot. Bonds4

About (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 59794402) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID59794402
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H26N4O4S/c1-15(13(20)16-14(21)17-15)11-24(22,23)19-9-5-12(6-10-19)18-7-3-2-4-8-18/h12H,2-11H2,1H3,(H2,16,17,20,21)/t15-/m1/s1
InChIKeyLTQZOCPSXRHNMV-OAHLLOKOSA-N
XLogP-0.14
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione (CID 59794402) is (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(N3CCCCC3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is LTQZOCPSXRHNMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-15(13(20)16-14(21)17-15)11-24(22,23)19-9-5-12(6-10-19)18-7-3-2-4-8-18/h12H,2-11H2,1H3,(H2,16,17,20,21)/t15-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 358.46 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59794402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).