6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione

C17H23N3O4S — CID 4095521

IUPAC6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)C1
InChIInChI=1S/C17H23N3O4S/c1-11-7-12(2)10-20(9-11)25(23,24)13-5-6-15-14(8-13)16(21)19(4)17(22)18(15)3/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyQRSIIAUXRAAXKV-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.90
Rot. Bonds2

About 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione

6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione (PubChem CID 4095521) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione
PubChem CID4095521
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)C1
InChIInChI=1S/C17H23N3O4S/c1-11-7-12(2)10-20(9-11)25(23,24)13-5-6-15-14(8-13)16(21)19(4)17(22)18(15)3/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyQRSIIAUXRAAXKV-UHFFFAOYSA-N
XLogP0.90
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
6-[[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]sulfonyl]-1,3-dimethylquinazoline-2,4-dione
CID 163318598
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 71691319
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 95756856
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
(3R,5S)-1-[[7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-9,10-dinitroso-9,10-dihydroanthracen-2-yl]sulfonyl]-3,5-dimethylpiperidine
CID 91193182

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione (CID 4095521) is 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione?
The InChIKey is QRSIIAUXRAAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11-7-12(2)10-20(9-11)25(23,24)13-5-6-15-14(8-13)16(21)19(4)17(22)18(15)3/h5-6,8,11-12H,7,9-10H2,1-4H3.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione?
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione has a molecular weight of 365.46 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione is sourced from PubChem (CID 4095521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).