N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine

C11H16N4O4S — CID 18288213

IUPACN-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H16N4O4S/c1-20(18,19)14-7-4-9(5-8-14)13-11-10(15(16)17)3-2-6-12-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,13)
InChIKeyRCYZDYVNNPUUTH-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.83
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine

N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine (PubChem CID 18288213) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
PubChem CID18288213
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H16N4O4S/c1-20(18,19)14-7-4-9(5-8-14)13-11-10(15(16)17)3-2-6-12-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,13)
InChIKeyRCYZDYVNNPUUTH-UHFFFAOYSA-N
XLogP0.83
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.83
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

N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
4-methyl-2-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136561957
3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 87053008
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 139664540
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine (CID 18288213) is N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine is CS(=O)(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine?
The InChIKey is RCYZDYVNNPUUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-20(18,19)14-7-4-9(5-8-14)13-11-10(15(16)17)3-2-6-12-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,12,13).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine?
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine has a molecular weight of 300.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 18288213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).