N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide

C17H24N4O5S — CID 120574724

IUPACN-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O5S/c1-12-15(7-3-9-18-12)19-17(22)16-8-4-10-20(16)27(25,26)14-6-2-5-13(11-14)21(23)24/h2,5-6,11-12,15-16,18H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyRYODMWOQGZWQBH-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.00
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide

N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 120574724) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID120574724
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC NameN-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O5S/c1-12-15(7-3-9-18-12)19-17(22)16-8-4-10-20(16)27(25,26)14-6-2-5-13(11-14)21(23)24/h2,5-6,11-12,15-16,18H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyRYODMWOQGZWQBH-UHFFFAOYSA-N
XLogP1.00
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.00
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-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 120574723
N-[2-(aminomethyl)cyclopentyl]-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119602784
[4-(methylamino)piperidin-1-yl]-[1-(3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119561779
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
N-(3-aminobutyl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119497101
[3-[(2R)-2-carboxypyrrolidin-1-yl]sulfonylphenyl]-methyl-oxoazanium
CID 7063075
1-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)pyrrolidine-2-carboxamide
CID 16924892
2-[methyl-[1-(3-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 119359072
1-(3-methyl-4-nitrobenzoyl)-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 120574093
6-(3-nitrophenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680967
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide (CID 120574724) is N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide is CC1NCCCC1NC(=O)C1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RYODMWOQGZWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-12-15(7-3-9-18-12)19-17(22)16-8-4-10-20(16)27(25,26)14-6-2-5-13(11-14)21(23)24/h2,5-6,11-12,15-16,18H,3-4,7-10H2,1H3,(H,19,22).
What are the key properties of N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide?
N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 120574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).