N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide

C14H22N2OS — CID 54966132

IUPACN'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide
SMILESCC(C)c1ccc(SCCCCC(N)=NO)cc1
InChIInChI=1S/C14H22N2OS/c1-11(2)12-6-8-13(9-7-12)18-10-4-3-5-14(15)16-17/h6-9,11,17H,3-5,10H2,1-2H3,(H2,15,16)
InChIKeyNARVBYADDMBQCH-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.82
Rot. Bonds7

About N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide

N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide (PubChem CID 54966132) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide
PubChem CID54966132
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide
SMILESCC(C)c1ccc(SCCCCC(N)=NO)cc1
InChIInChI=1S/C14H22N2OS/c1-11(2)12-6-8-13(9-7-12)18-10-4-3-5-14(15)16-17/h6-9,11,17H,3-5,10H2,1-2H3,(H2,15,16)
InChIKeyNARVBYADDMBQCH-UHFFFAOYSA-N
XLogP3.82
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethylphenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374811
6-(4-propan-2-ylphenyl)sulfanylhexan-2-one
CID 43794030
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylbutanimidamide
CID 54944999
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
6-(4-propan-2-ylphenyl)sulfanylhexan-3-one
CID 106802206
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
CID 43187755
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide
CID 43368988
2,2-dimethyl-6-(4-propan-2-ylphenyl)sulfanylhexan-1-amine
CID 106713289
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 107665073
N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 61386053
N'-hydroxy-5-(2-nitrophenyl)sulfanylpentanimidamide
CID 54966345

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide (CID 54966132) is N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide is CC(C)c1ccc(SCCCCC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
The InChIKey is NARVBYADDMBQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)12-6-8-13(9-7-12)18-10-4-3-5-14(15)16-17/h6-9,11,17H,3-5,10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide has a molecular weight of 266.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide is sourced from PubChem (CID 54966132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).