N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide

C16H20N4O2S — CID 154829981

IUPACN-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncnc3ccccc23)C1)C1CC1
InChIInChI=1S/C16H20N4O2S/c21-23(22,13-7-8-13)19-12-4-3-9-20(10-12)16-14-5-1-2-6-15(14)17-11-18-16/h1-2,5-6,11-13,19H,3-4,7-10H2
InChIKeyRBEKAPIVSDFRBL-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.68
Rot. Bonds4

About N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide

N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide (PubChem CID 154829981) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
PubChem CID154829981
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncnc3ccccc23)C1)C1CC1
InChIInChI=1S/C16H20N4O2S/c21-23(22,13-7-8-13)19-12-4-3-9-20(10-12)16-14-5-1-2-6-15(14)17-11-18-16/h1-2,5-6,11-13,19H,3-4,7-10H2
InChIKeyRBEKAPIVSDFRBL-UHFFFAOYSA-N
XLogP1.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.68
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)propane-2-sulfonamide
CID 175650317
N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 155800764
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
N-propan-2-yl-2-(1-quinazolin-4-ylpiperidin-3-yl)ethanesulfonamide
CID 168791226
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559

Frequently Asked Questions

What is the IUPAC name of N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
The IUPAC name of N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide (CID 154829981) is N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide is O=S(=O)(NC1CCCN(c2ncnc3ccccc23)C1)C1CC1.
What is the InChIKey of N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
The InChIKey is RBEKAPIVSDFRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,13-7-8-13)19-12-4-3-9-20(10-12)16-14-5-1-2-6-15(14)17-11-18-16/h1-2,5-6,11-13,19H,3-4,7-10H2.
What are the key properties of N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.68, 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)cyclopropanesulfonamide is sourced from PubChem (CID 154829981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).