N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine

C11H15N3O3S — CID 142378934

IUPACN-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine
SMILESO=[N+]([O-])c1ccc(SN(O)NC2CCCC2)cc1
InChIInChI=1S/C11H15N3O3S/c15-13(16)10-5-7-11(8-6-10)18-14(17)12-9-3-1-2-4-9/h5-9,12,17H,1-4H2
InChIKeyJVFGWOLTPUVRJT-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.74
Rot. Bonds5

About N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine

N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine (PubChem CID 142378934) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine.

Molecular Properties

Compound NameN-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine
PubChem CID142378934
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine
SMILESO=[N+]([O-])c1ccc(SN(O)NC2CCCC2)cc1
InChIInChI=1S/C11H15N3O3S/c15-13(16)10-5-7-11(8-6-10)18-14(17)12-9-3-1-2-4-9/h5-9,12,17H,1-4H2
InChIKeyJVFGWOLTPUVRJT-UHFFFAOYSA-N
XLogP2.74
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclododecyl-4-nitrobenzamide
CID 19168070
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132145
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate
CID 29328450
1-cyclooctyl-3-(4-nitrophenyl)thiourea
CID 8627304
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
1-(cyclopropylmethylsulfanyl)-4-nitrobenzene
CID 68698105
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755038
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine?
The IUPAC name of N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine (CID 142378934) is N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine.
What is the SMILES notation for N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine?
The canonical SMILES for N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine is O=[N+]([O-])c1ccc(SN(O)NC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine?
The InChIKey is JVFGWOLTPUVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-13(16)10-5-7-11(8-6-10)18-14(17)12-9-3-1-2-4-9/h5-9,12,17H,1-4H2.
What are the key properties of N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine?
N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine has a molecular weight of 269.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylamino)-N-(4-nitrophenyl)sulfanylhydroxylamine is sourced from PubChem (CID 142378934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).