N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide

C14H18N4O2S — CID 36834296

IUPACN-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C14H18N4O2S/c1-21(19,20)17-11-5-4-8-18(9-11)14-12-6-2-3-7-13(12)15-10-16-14/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeyKFYIRKDLAHNCIZ-LLVKDONJSA-N
MW306.39 g/mol
LogP1.15
Rot. Bonds3

About N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide

N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide (PubChem CID 36834296) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
PubChem CID36834296
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C14H18N4O2S/c1-21(19,20)17-11-5-4-8-18(9-11)14-12-6-2-3-7-13(12)15-10-16-14/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeyKFYIRKDLAHNCIZ-LLVKDONJSA-N
XLogP1.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829981
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
N-methyl-1-(1-quinazolin-4-ylpiperidin-3-yl)ethanamine
CID 63854555
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
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
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
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide (CID 36834296) is N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide?
The InChIKey is KFYIRKDLAHNCIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-21(19,20)17-11-5-4-8-18(9-11)14-12-6-2-3-7-13(12)15-10-16-14/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide?
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 36834296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).