(5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione

C15H19ClN4O3S — CID 142170750

IUPAC(5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)N2CCC(c3ccc(Cl)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H19ClN4O3S/c1-15(13(21)18-14(22)19-15)9-24(23)20-6-4-10(5-7-20)12-3-2-11(16)8-17-12/h2-3,8,10H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-,24?/m1/s1
InChIKeyOLHHVPPLCZNZTF-GZAIGYLVSA-N
MW370.86 g/mol
LogP1.18
Rot. Bonds4

About (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 142170750) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID142170750
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name(5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)N2CCC(c3ccc(Cl)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H19ClN4O3S/c1-15(13(21)18-14(22)19-15)9-24(23)20-6-4-10(5-7-20)12-3-2-11(16)8-17-12/h2-3,8,10H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-,24?/m1/s1
InChIKeyOLHHVPPLCZNZTF-GZAIGYLVSA-N
XLogP1.18
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione (CID 142170750) is (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(CS(=O)N2CCC(c3ccc(Cl)cn3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is OLHHVPPLCZNZTF-GZAIGYLVSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-15(13(21)18-14(22)19-15)9-24(23)20-6-4-10(5-7-20)12-3-2-11(16)8-17-12/h2-3,8,10H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-,24?/m1/s1.
What are the key properties of (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 370.86 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-(5-chloro-2-pyridinyl)piperidin-1-yl]sulfinylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 142170750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).