N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide

C14H22N2OS — CID 43368988

IUPACN'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide
SMILESCCC(C/C(N)=N/O)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-4-12(9-14(15)16-17)18-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,17H,4,9H2,1-3H3,(H2,15,16)
InChIKeyJSIPHYWRQDVVER-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.82
Rot. Bonds6

About N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide

N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide (PubChem CID 43368988) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide
PubChem CID43368988
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide
SMILESCCC(C/C(N)=N/O)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-4-12(9-14(15)16-17)18-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,17H,4,9H2,1-3H3,(H2,15,16)
InChIKeyJSIPHYWRQDVVER-UHFFFAOYSA-N
XLogP3.82
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': '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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide (CID 43368988) is N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide is CCC(C/C(N)=N/O)Sc1ccc(C(C)C)cc1.
What is the InChIKey of N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
The InChIKey is JSIPHYWRQDVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-12(9-14(15)16-17)18-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,17H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide?
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide has a molecular weight of 266.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide is sourced from PubChem (CID 43368988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).