1-(4-nitrophenyl)sulfonylpentan-2-amine

C11H16N2O4S — CID 64645710

IUPAC1-(4-nitrophenyl)sulfonylpentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O4S/c1-2-3-9(12)8-18(16,17)11-6-4-10(5-7-11)13(14)15/h4-7,9H,2-3,8,12H2,1H3
InChIKeyOPZQPOGGMNGKSV-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.50
Rot. Bonds6

About 1-(4-nitrophenyl)sulfonylpentan-2-amine

1-(4-nitrophenyl)sulfonylpentan-2-amine (PubChem CID 64645710) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonylpentan-2-amine
PubChem CID64645710
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name1-(4-nitrophenyl)sulfonylpentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O4S/c1-2-3-9(12)8-18(16,17)11-6-4-10(5-7-11)13(14)15/h4-7,9H,2-3,8,12H2,1H3
InChIKeyOPZQPOGGMNGKSV-UHFFFAOYSA-N
XLogP1.50
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.50
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

4-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64645518
1-(4-nitrophenyl)sulfanylpentan-2-amine
CID 64611764
1-(3-bromo-2-methylpropyl)sulfonyl-4-nitrobenzene
CID 64995799
N-ethyl-1-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64646106
(4-nitrophenyl)sulfonyl (2S)-2-aminopentanoate
CID 143782426
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
CID 64647030
1-(4-nitrophenyl)hexan-1-amine
CID 139623106
1-(methylamino)-3-(4-nitrophenyl)sulfonylpropan-2-ol
CID 113317940
1-[1-chloro-2-(4-nitrophenyl)sulfonylethyl]-4-methylbenzene
CID 135032476
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
1-(2-chloro-4-nitrophenyl)pentan-2-amine
CID 63196335
N-(1-cyanobutyl)-4-nitrobenzenesulfonamide
CID 61122661

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)sulfonylpentan-2-amine?
The IUPAC name of 1-(4-nitrophenyl)sulfonylpentan-2-amine (CID 64645710) is 1-(4-nitrophenyl)sulfonylpentan-2-amine.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonylpentan-2-amine?
The canonical SMILES for 1-(4-nitrophenyl)sulfonylpentan-2-amine is CCCC(N)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonylpentan-2-amine?
The InChIKey is OPZQPOGGMNGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-3-9(12)8-18(16,17)11-6-4-10(5-7-11)13(14)15/h4-7,9H,2-3,8,12H2,1H3.
What are the key properties of 1-(4-nitrophenyl)sulfonylpentan-2-amine?
1-(4-nitrophenyl)sulfonylpentan-2-amine has a molecular weight of 272.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64645710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).