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

C15H21N3O5S — CID 42949047

IUPAC1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide
SMILESCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O5S/c1-2-10-16-15(19)14-5-3-4-11-17(14)24(22,23)13-8-6-12(7-9-13)18(20)21/h6-9,14H,2-5,10-11H2,1H3,(H,16,19)
InChIKeyTWTGKHUCSZPTCN-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.66
Rot. Bonds6

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

1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide (PubChem CID 42949047) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide
PubChem CID42949047
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide
SMILESCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O5S/c1-2-10-16-15(19)14-5-3-4-11-17(14)24(22,23)13-8-6-12(7-9-13)18(20)21/h6-9,14H,2-5,10-11H2,1H3,(H,16,19)
InChIKeyTWTGKHUCSZPTCN-UHFFFAOYSA-N
XLogP1.66
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.66
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

(2R)-N-[(2S)-butan-2-yl]-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 51933897
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 42946902
(2R)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate
CID 6946056
2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
N-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42949023
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119502993
1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide
CID 24619962
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010
N-(3-aminobutyl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119497101

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide (CID 42949047) is 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide is CCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide?
The InChIKey is TWTGKHUCSZPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-2-10-16-15(19)14-5-3-4-11-17(14)24(22,23)13-8-6-12(7-9-13)18(20)21/h6-9,14H,2-5,10-11H2,1H3,(H,16,19).
What are the key properties of 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide?
1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide is sourced from PubChem (CID 42949047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).