(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

C24H35N3O3S — CID 42436421

IUPAC(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)NC(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C24H35N3O3S/c1-17(2)15-24(22(29)27(23(30)25-24)16-20-9-6-14-31-20)19-10-12-26(13-11-19)21(28)18-7-4-3-5-8-18/h6,9,14,17-19H,3-5,7-8,10-13,15-16H2,1-2H3,(H,25,30)/t24-/m0/s1
InChIKeyWWUBKEOPDOFNMB-DEOSSOPVSA-N
MW445.63 g/mol
LogP4.40
Rot. Bonds6

About (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42436421) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID42436421
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)NC(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C24H35N3O3S/c1-17(2)15-24(22(29)27(23(30)25-24)16-20-9-6-14-31-20)19-10-12-26(13-11-19)21(28)18-7-4-3-5-8-18/h6,9,14,17-19H,3-5,7-8,10-13,15-16H2,1-2H3,(H,25,30)/t24-/m0/s1
InChIKeyWWUBKEOPDOFNMB-DEOSSOPVSA-N
XLogP4.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.40
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-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione (CID 42436421) is (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione is CC(C)C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)NC(=O)N(Cc2cccs2)C1=O.
What is the InChIKey of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is WWUBKEOPDOFNMB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-17(2)15-24(22(29)27(23(30)25-24)16-20-9-6-14-31-20)19-10-12-26(13-11-19)21(28)18-7-4-3-5-8-18/h6,9,14,17-19H,3-5,7-8,10-13,15-16H2,1-2H3,(H,25,30)/t24-/m0/s1.
What are the key properties of (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 445.63 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42436421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).