6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

C15H19N3O5S — CID 124964528

IUPAC6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CCO)ccc2[nH]1
InChIInChI=1S/C15H19N3O5S/c19-8-6-10-3-1-2-7-18(10)24(22,23)11-4-5-13-12(9-11)14(20)17-15(21)16-13/h4-5,9-10,19H,1-3,6-8H2,(H2,16,17,20,21)/t10-/m0/s1
InChIKeyHYBWSBVUBFAJNS-JTQLQIEISA-N
MW353.40 g/mol
LogP0.14
Rot. Bonds4

About 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 124964528) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID124964528
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CCO)ccc2[nH]1
InChIInChI=1S/C15H19N3O5S/c19-8-6-10-3-1-2-7-18(10)24(22,23)11-4-5-13-12(9-11)14(20)17-15(21)16-13/h4-5,9-10,19H,1-3,6-8H2,(H2,16,17,20,21)/t10-/m0/s1
InChIKeyHYBWSBVUBFAJNS-JTQLQIEISA-N
XLogP0.14
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 51589278
6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 97261482
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
6-(2-methylpiperazin-1-yl)sulfonyl-1H-quinazoline-2,4-dione
CID 119969859
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
6-[(3-oxo-2-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
CID 167808652
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8778115
5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 146025002
5-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110411418
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 124964528) is 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CCO)ccc2[nH]1.
What is the InChIKey of 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is HYBWSBVUBFAJNS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O5S/c19-8-6-10-3-1-2-7-18(10)24(22,23)11-4-5-13-12(9-11)14(20)17-15(21)16-13/h4-5,9-10,19H,1-3,6-8H2,(H2,16,17,20,21)/t10-/m0/s1.
What are the key properties of 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 353.40 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 124964528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).