2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide

C15H22N4O5S — CID 55828149

IUPAC2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N4O5S/c1-10(2)15(20)17-11-5-7-18(8-6-11)13-4-3-12(25(16,23)24)9-14(13)19(21)22/h3-4,9-11H,5-8H2,1-2H3,(H,17,20)(H2,16,23,24)
InChIKeyFFXJTZNWHHBYQA-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.98
Rot. Bonds5

About 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide

2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide (PubChem CID 55828149) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide
PubChem CID55828149
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N4O5S/c1-10(2)15(20)17-11-5-7-18(8-6-11)13-4-3-12(25(16,23)24)9-14(13)19(21)22/h3-4,9-11H,5-8H2,1-2H3,(H,17,20)(H2,16,23,24)
InChIKeyFFXJTZNWHHBYQA-UHFFFAOYSA-N
XLogP0.98
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
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

N-[[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]methyl]acetamide
CID 55828579
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide
CID 103976818
4-(4-fluoropiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 67992994
4-(4-ethylpiperazin-1-yl)-3-nitrobenzenesulfonamide
CID 26455707
N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide
CID 133354622
N-cyclopropyl-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]propanamide
CID 24587949
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]urea
CID 133344994
4-(4-acetylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9279383
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzenesulfonamide
CID 9283312
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide
CID 9111962
N-cyclopropyl-1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 133381236
4-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-nitrobenzamide
CID 24587962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide (CID 55828149) is 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide?
The InChIKey is FFXJTZNWHHBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-10(2)15(20)17-11-5-7-18(8-6-11)13-4-3-12(25(16,23)24)9-14(13)19(21)22/h3-4,9-11H,5-8H2,1-2H3,(H,17,20)(H2,16,23,24).
What are the key properties of 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide has a molecular weight of 370.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-nitro-4-sulfamoylphenyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 55828149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).