N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide

C17H24N4O2S — CID 99848801

IUPACN-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCc1cccc2ncnc(N3CCCC[C@@H]3CCNS(C)(=O)=O)c12
InChIInChI=1S/C17H24N4O2S/c1-13-6-5-8-15-16(13)17(19-12-18-15)21-11-4-3-7-14(21)9-10-20-24(2,22)23/h5-6,8,12,14,20H,3-4,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyKEVPZRSTXJVWPY-CQSZACIVSA-N
MW348.47 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 99848801) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID99848801
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCc1cccc2ncnc(N3CCCC[C@@H]3CCNS(C)(=O)=O)c12
InChIInChI=1S/C17H24N4O2S/c1-13-6-5-8-15-16(13)17(19-12-18-15)21-11-4-3-7-14(21)9-10-20-24(2,22)23/h5-6,8,12,14,20H,3-4,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyKEVPZRSTXJVWPY-CQSZACIVSA-N
XLogP2.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397040
[1-[[1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 133349483
N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 125131310
[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
CID 97101931
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
(2S)-2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 94677155
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634296
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide (CID 99848801) is N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide is Cc1cccc2ncnc(N3CCCC[C@@H]3CCNS(C)(=O)=O)c12.
What is the InChIKey of N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is KEVPZRSTXJVWPY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-6-5-8-15-16(13)17(19-12-18-15)21-11-4-3-7-14(21)9-10-20-24(2,22)23/h5-6,8,12,14,20H,3-4,7,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 99848801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).