N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide

C14H22N4O4S — CID 125131310

IUPACN-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCc1nc(N2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O4S/c1-11-13(18(19)20)6-7-14(16-11)17-10-4-3-5-12(17)8-9-15-23(2,21)22/h6-7,12,15H,3-5,8-10H2,1-2H3/t12-/m1/s1
InChIKeyLKRBWHRCIQKLCH-GFCCVEGCSA-N
MW342.42 g/mol
LogP1.60
Rot. Bonds6

About N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 125131310) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID125131310
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCc1nc(N2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O4S/c1-11-13(18(19)20)6-7-14(16-11)17-10-4-3-5-12(17)8-9-15-23(2,21)22/h6-7,12,15H,3-5,8-10H2,1-2H3/t12-/m1/s1
InChIKeyLKRBWHRCIQKLCH-GFCCVEGCSA-N
XLogP1.60
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
CID 133377010
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 75482703
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
CID 99714262
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
N-[2-[(2R)-1-(5-methylquinazolin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
CID 99848801
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
2-[1-(5-chloro-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 115471874
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
2-methyl-4-[(2S)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole
CID 125138200
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 125131310) is N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide is Cc1nc(N2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is LKRBWHRCIQKLCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-11-13(18(19)20)6-7-14(16-11)17-10-4-3-5-12(17)8-9-15-23(2,21)22/h6-7,12,15H,3-5,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 125131310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).