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

C14H18N4O4S — CID 124692940

IUPAC6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESC[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H18N4O4S/c1-8-6-9(15)4-5-18(8)23(21,22)10-2-3-12-11(7-10)13(19)17-14(20)16-12/h2-3,7-9H,4-6,15H2,1H3,(H2,16,17,19,20)/t8-,9-/m0/s1
InChIKeyJBXBXCIKPXMMNL-IUCAKERBSA-N
MW338.39 g/mol
LogP-0.28
Rot. Bonds2

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

6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 124692940) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID124692940
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESC[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H18N4O4S/c1-8-6-9(15)4-5-18(8)23(21,22)10-2-3-12-11(7-10)13(19)17-14(20)16-12/h2-3,7-9H,4-6,15H2,1H3,(H2,16,17,19,20)/t8-,9-/m0/s1
InChIKeyJBXBXCIKPXMMNL-IUCAKERBSA-N
XLogP-0.28
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-(2-methylpiperazin-1-yl)sulfonyl-1H-quinazoline-2,4-dione
CID 119969859
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124964528
6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55627740
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8778115
6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 51589278
6-[(3-oxo-2-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
CID 167808652
2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 115312519
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 119987604

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 124692940) is 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is JBXBXCIKPXMMNL-IUCAKERBSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-8-6-9(15)4-5-18(8)23(21,22)10-2-3-12-11(7-10)13(19)17-14(20)16-12/h2-3,7-9H,4-6,15H2,1H3,(H2,16,17,19,20)/t8-,9-/m0/s1.
What are the key properties of 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 338.39 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 124692940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).