N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide

C11H15N3O3S — CID 54966345

IUPACN'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide
SMILESNC(CCCCSc1ccccc1[N+](=O)[O-])=NO
InChIInChI=1S/C11H15N3O3S/c12-11(13-15)7-3-4-8-18-10-6-2-1-5-9(10)14(16)17/h1-2,5-6,15H,3-4,7-8H2,(H2,12,13)
InChIKeyUAFPGSXHIHLHGB-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.60
Rot. Bonds7

About N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide

N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide (PubChem CID 54966345) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide
PubChem CID54966345
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide
SMILESNC(CCCCSc1ccccc1[N+](=O)[O-])=NO
InChIInChI=1S/C11H15N3O3S/c12-11(13-15)7-3-4-8-18-10-6-2-1-5-9(10)14(16)17/h1-2,5-6,15H,3-4,7-8H2,(H2,12,13)
InChIKeyUAFPGSXHIHLHGB-UHFFFAOYSA-N
XLogP2.60
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-nitrophenyl)sulfanylpentanoic acid
CID 43439334
1-butylsulfanyl-2-nitrobenzene
CID 12646349
1-nitro-2-[6-(4-nitrophenyl)sulfanylhexylsulfanyl]benzene
CID 44623580
2-amino-4-(2-nitrophenyl)sulfanylbutanamide
CID 55143582
5-(4-bromo-2-nitrophenyl)sulfanylpentanamide
CID 71855916
(2S)-2-amino-3-(2-nitrophenyl)sulfanylpropanoic acid
CID 13375100
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
1-(4-fluorophenyl)-3-(2-nitrophenyl)sulfanylpropan-1-one
CID 43793891
1-(2-nitrophenyl)sulfanylpropan-2-one
CID 822986
3-(2-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 43187694
N'-hydroxy-4-[(2-methyl-3-nitrophenyl)methylamino]butanimidamide
CID 103110735
N-methyl-4-(2-nitrophenyl)sulfanylbutan-2-amine
CID 64610742

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide (CID 54966345) is N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide is NC(CCCCSc1ccccc1[N+](=O)[O-])=NO.
What is the InChIKey of N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide?
The InChIKey is UAFPGSXHIHLHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-11(13-15)7-3-4-8-18-10-6-2-1-5-9(10)14(16)17/h1-2,5-6,15H,3-4,7-8H2,(H2,12,13).
What are the key properties of N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide?
N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide has a molecular weight of 269.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide is sourced from PubChem (CID 54966345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).