N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C15H19ClN4O4S — CID 120712067

IUPACN-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.Cl
InChIInChI=1S/C15H18N4O4S.ClH/c1-16-10-11-4-3-9-18(11)24(22,23)14-7-6-13(19(20)21)12-5-2-8-17-15(12)14;/h2,5-8,11,16H,3-4,9-10H2,1H3;1H
InChIKeyOIFKYRZDJWGIAM-UHFFFAOYSA-N
MW386.86 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120712067) has the molecular formula C15H19ClN4O4S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120712067
Molecular FormulaC15H19ClN4O4S
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC NameN-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.Cl
InChIInChI=1S/C15H18N4O4S.ClH/c1-16-10-11-4-3-9-18(11)24(22,23)14-7-6-13(19(20)21)12-5-2-8-17-15(12)14;/h2,5-8,11,16H,3-4,9-10H2,1H3;1H
InChIKeyOIFKYRZDJWGIAM-UHFFFAOYSA-N
XLogP1.94
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711615
N-[[1-(5-nitroquinolin-8-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120711965
N-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63250411
8-(2-methylpiperazin-1-yl)sulfonyl-5-nitroquinoline;hydrochloride
CID 120708058
N-[2-(methylamino)ethyl]-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120708645
1-[1-(2-methoxy-4-nitrophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990894
N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine
CID 83067222
8-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-5-nitroquinoline
CID 120711745
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 120712067) is N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12.Cl.
What is the InChIKey of N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is OIFKYRZDJWGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S.ClH/c1-16-10-11-4-3-9-18(11)24(22,23)14-7-6-13(19(20)21)12-5-2-8-17-15(12)14;/h2,5-8,11,16H,3-4,9-10H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 386.86 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120712067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).