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

C19H26N4O4S — CID 51589278

IUPAC6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C19H26N4O4S/c24-18-16-12-15(7-8-17(16)20-19(25)21-18)28(26,27)23-11-5-2-6-14(23)13-22-9-3-1-4-10-22/h7-8,12,14H,1-6,9-11,13H2,(H2,20,21,24,25)/t14-/m0/s1
InChIKeyNZODQKHYJVFBSG-AWEZNQCLSA-N
MW406.51 g/mol
LogP1.25
Rot. Bonds4

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

6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 51589278) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID51589278
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C19H26N4O4S/c24-18-16-12-15(7-8-17(16)20-19(25)21-18)28(26,27)23-11-5-2-6-14(23)13-22-9-3-1-4-10-22/h7-8,12,14H,1-6,9-11,13H2,(H2,20,21,24,25)/t14-/m0/s1
InChIKeyNZODQKHYJVFBSG-AWEZNQCLSA-N
XLogP1.25
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124964528
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
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
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
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
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 119987604
6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 5323312

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 51589278) is 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)ccc2[nH]1.
What is the InChIKey of 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is NZODQKHYJVFBSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O4S/c24-18-16-12-15(7-8-17(16)20-19(25)21-18)28(26,27)23-11-5-2-6-14(23)13-22-9-3-1-4-10-22/h7-8,12,14H,1-6,9-11,13H2,(H2,20,21,24,25)/t14-/m0/s1.
What are the key properties of 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 406.51 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 51589278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).