N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide

C16H22N4O2S — CID 175650317

IUPACN-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H22N4O2S/c1-12(2)23(21,22)19-13-6-5-9-20(10-13)16-14-7-3-4-8-15(14)17-11-18-16/h3-4,7-8,11-13,19H,5-6,9-10H2,1-2H3
InChIKeyWJXINOXUQGIGGQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.93
Rot. Bonds4

About N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide

N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide (PubChem CID 175650317) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
PubChem CID175650317
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C16H22N4O2S/c1-12(2)23(21,22)19-13-6-5-9-20(10-13)16-14-7-3-4-8-15(14)17-11-18-16/h3-4,7-8,11-13,19H,5-6,9-10H2,1-2H3
InChIKeyWJXINOXUQGIGGQ-UHFFFAOYSA-N
XLogP1.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829981
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
N-methylsulfanyl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 142582663
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844

Frequently Asked Questions

What is the IUPAC name of N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide (CID 175650317) is N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide?
The InChIKey is WJXINOXUQGIGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12(2)23(21,22)19-13-6-5-9-20(10-13)16-14-7-3-4-8-15(14)17-11-18-16/h3-4,7-8,11-13,19H,5-6,9-10H2,1-2H3.
What are the key properties of N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide?
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 175650317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).