N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine

C12H17N3O4S — CID 119979817

IUPACN-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H17N3O4S/c1-13-10-6-8-14(9-7-10)20(18,19)12-4-2-11(3-5-12)15(16)17/h2-5,10,13H,6-9H2,1H3
InChIKeyHTZVMVMDTFBZDM-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine

N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine (PubChem CID 119979817) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
PubChem CID119979817
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H17N3O4S/c1-13-10-6-8-14(9-7-10)20(18,19)12-4-2-11(3-5-12)15(16)17/h2-5,10,13H,6-9H2,1H3
InChIKeyHTZVMVMDTFBZDM-UHFFFAOYSA-N
XLogP0.97
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.97
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-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 49460379
3,5-dihydroxy-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562893
2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559903
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 39977653
1-(4-methylsulfanylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 16935132

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine (CID 119979817) is N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine?
The InChIKey is HTZVMVMDTFBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-13-10-6-8-14(9-7-10)20(18,19)12-4-2-11(3-5-12)15(16)17/h2-5,10,13H,6-9H2,1H3.
What are the key properties of N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine?
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine has a molecular weight of 299.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 119979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).