1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

C16H23N3O5S — CID 26823166

IUPAC1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C16H23N3O5S/c1-3-8-17-16(20)13-6-9-18(10-7-13)25(23,24)15-11-14(19(21)22)5-4-12(15)2/h4-5,11,13H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyITEAIOLVONFHFJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.83
Rot. Bonds6

About 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide (PubChem CID 26823166) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
PubChem CID26823166
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C16H23N3O5S/c1-3-8-17-16(20)13-6-9-18(10-7-13)25(23,24)15-11-14(19(21)22)5-4-12(15)2/h4-5,11,13H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyITEAIOLVONFHFJ-UHFFFAOYSA-N
XLogP1.83
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
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

N-butyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26590877
N-hexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 32645637
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 33304873
1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 42907739
N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
N-[(2S)-1-aminopropan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 120507992
N-(3-ethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26795902
1-(2-methyl-5-nitrophenyl)sulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 37312410
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55669672
1-(2-methyl-5-nitrophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577483
N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide
CID 27693390
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55388933

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide (CID 26823166) is 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1.
What is the InChIKey of 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
The InChIKey is ITEAIOLVONFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-3-8-17-16(20)13-6-9-18(10-7-13)25(23,24)15-11-14(19(21)22)5-4-12(15)2/h4-5,11,13H,3,6-10H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide?
1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 26823166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).