N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine

C16H24N4O4S — CID 9311427

IUPACN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NN1CCCCC1
InChIInChI=1S/C16H24N4O4S/c21-20(22)16-13-14(25(23,24)19-11-5-2-6-12-19)7-8-15(16)17-18-9-3-1-4-10-18/h7-8,13,17H,1-6,9-12H2
InChIKeyXHJUGGQQSRINKL-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.58
Rot. Bonds5

About N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine

N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine (PubChem CID 9311427) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
PubChem CID9311427
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NN1CCCCC1
InChIInChI=1S/C16H24N4O4S/c21-20(22)16-13-14(25(23,24)19-11-5-2-6-12-19)7-8-15(16)17-18-9-3-1-4-10-18/h7-8,13,17H,1-6,9-12H2
InChIKeyXHJUGGQQSRINKL-UHFFFAOYSA-N
XLogP2.58
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.58
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

(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
N-(2-methylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 9281950
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
CID 9282828
4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitroaniline
CID 16959579
4-(azepan-1-ylsulfonyl)-N-(1-methylsulfanylpropan-2-yl)-2-nitroaniline
CID 133311861
N-[(1S)-1-cyclopropylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9026150
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 26441981
2-nitro-N-phenylmethoxy-4-piperidin-1-ylsulfonylaniline
CID 9108911
4-(azepan-1-ylsulfonyl)-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 99815917
4-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 39008788

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine?
The IUPAC name of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine (CID 9311427) is N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine.
What is the SMILES notation for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine?
The canonical SMILES for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NN1CCCCC1.
What is the InChIKey of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine?
The InChIKey is XHJUGGQQSRINKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c21-20(22)16-13-14(25(23,24)19-11-5-2-6-12-19)7-8-15(16)17-18-9-3-1-4-10-18/h7-8,13,17H,1-6,9-12H2.
What are the key properties of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine?
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine has a molecular weight of 368.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine is sourced from PubChem (CID 9311427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).