N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide

C14H22N2OS — CID 20763415

IUPACN'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide
SMILESCCCCCCCSc1ccc(/N=C/NO)cc1
InChIInChI=1S/C14H22N2OS/c1-2-3-4-5-6-11-18-14-9-7-13(8-10-14)15-12-16-17/h7-10,12,17H,2-6,11H2,1H3,(H,15,16)
InChIKeyOYGAIIDWBRYMSW-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.39
Rot. Bonds9

About N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide

N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide (PubChem CID 20763415) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide
PubChem CID20763415
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide
SMILESCCCCCCCSc1ccc(/N=C/NO)cc1
InChIInChI=1S/C14H22N2OS/c1-2-3-4-5-6-11-18-14-9-7-13(8-10-14)15-12-16-17/h7-10,12,17H,2-6,11H2,1H3,(H,15,16)
InChIKeyOYGAIIDWBRYMSW-UHFFFAOYSA-N
XLogP4.39
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.39
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-pentylsulfanylphenyl)guanidine
CID 3012598
1-hexylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387626
1-dodecylsulfanyl-4-methylsulfanylbenzene
CID 146260586
N-hydroxy-N'-[4-(2-phenylsulfanylethoxy)phenyl]methanimidamide
CID 20763531
4-dodecylsulfanylbenzaldehyde
CID 54048765
2-(4-icosylsulfanylphenyl)acetic acid
CID 139754603
N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide
CID 2747629
1,2-bis(4-pentylsulfanylphenyl)guanidine;hydrobromide
CID 22675673
N'-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-hydroxymethanimidamide
CID 20763364
1-ethylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387966
1-methyl-4-(4-octylsulfanylphenyl)benzene
CID 70387614
nickel;octylsulfanylbenzene
CID 157277722

Frequently Asked Questions

What is the IUPAC name of N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide (CID 20763415) is N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide is CCCCCCCSc1ccc(/N=C/NO)cc1.
What is the InChIKey of N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide?
The InChIKey is OYGAIIDWBRYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-3-4-5-6-11-18-14-9-7-13(8-10-14)15-12-16-17/h7-10,12,17H,2-6,11H2,1H3,(H,15,16).
What are the key properties of N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide?
N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide has a molecular weight of 266.41 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 20763415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).