N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C15H21N3O5S — CID 1307382

IUPACN-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O5S/c1-12-6-7-13(18(20)21)10-14(12)17(24(2,22)23)11-15(19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyNFGOPPDIQWRXRS-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.68
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 1307382) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID1307382
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O5S/c1-12-6-7-13(18(20)21)10-14(12)17(24(2,22)23)11-15(19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyNFGOPPDIQWRXRS-UHFFFAOYSA-N
XLogP1.68
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(Methylsulfonyl)-4-(4-nitrobenzyl)piperazine
CID 787153
N-[2-(morpholin-4-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide
CID 887128
1-(ethylsulfonyl)-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 2204286
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
N-cyclopentyl-N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2948835
N-(2-Methyl-5-nitro-phenyl)-2-(4-methyl-piperidin-1-yl)-acetamide
CID 783092
N-(2-methyl-5-nitrophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 970760
N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1135498
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide
CID 1320248
N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)-N-(2-phenylethyl)glycinamide
CID 2176116
N,N-dimethyl-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(3-nitrophenyl)glycinamide
CID 2199717
1-[2-(2-Methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2553321

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 1307382) is N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is NFGOPPDIQWRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-12-6-7-13(18(20)21)10-14(12)17(24(2,22)23)11-15(19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 1307382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).