N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide

C14H18N4O3S — CID 154764510

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)N2CCCCC2)nc2ccccc12
InChIInChI=1S/C14H18N4O3S/c19-14-11-6-2-3-7-12(11)16-13(17-14)10-15-22(20,21)18-8-4-1-5-9-18/h2-3,6-7,15H,1,4-5,8-10H2,(H,16,17,19)
InChIKeyXZGPLTHWUCTCEH-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.74
Rot. Bonds4

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 154764510) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID154764510
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)N2CCCCC2)nc2ccccc12
InChIInChI=1S/C14H18N4O3S/c19-14-11-6-2-3-7-12(11)16-13(17-14)10-15-22(20,21)18-8-4-1-5-9-18/h2-3,6-7,15H,1,4-5,8-10H2,(H,16,17,19)
InChIKeyXZGPLTHWUCTCEH-UHFFFAOYSA-N
XLogP0.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
CID 137210253
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 136663685
2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-quinazolin-4-one
CID 135799534
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135718628
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
4-[(4-oxo-3H-quinazolin-2-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 155814648
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3H-quinazolin-4-one
CID 135413659
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide (CID 154764510) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide is O=c1[nH]c(CNS(=O)(=O)N2CCCCC2)nc2ccccc12.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is XZGPLTHWUCTCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-14-11-6-2-3-7-12(11)16-13(17-14)10-15-22(20,21)18-8-4-1-5-9-18/h2-3,6-7,15H,1,4-5,8-10H2,(H,16,17,19).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 154764510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).