N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide

C13H19N3S — CID 79206755

IUPACN-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
SMILESNN/C(CSc1ccccc1)=N\C1CCCC1
InChIInChI=1S/C13H19N3S/c14-16-13(15-11-6-4-5-7-11)10-17-12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10,14H2,(H,15,16)
InChIKeyIUBUIIKLGWULFW-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.58
Rot. Bonds4

About N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide

N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide (PubChem CID 79206755) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
PubChem CID79206755
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
SMILESNN/C(CSc1ccccc1)=N\C1CCCC1
InChIInChI=1S/C13H19N3S/c14-16-13(15-11-6-4-5-7-11)10-17-12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10,14H2,(H,15,16)
InChIKeyIUBUIIKLGWULFW-UHFFFAOYSA-N
XLogP2.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
N-amino-N'-cyclopentyl-2-naphthalen-2-ylethanimidamide
CID 61363497
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
2-phenylsulfanylacetohydrazide
CID 7037418
N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
CID 62504643
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
N-amino-N'-cyclopentylquinoline-2-carboximidamide
CID 61361524
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637
N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide
CID 61363103
N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide
CID 63464264
N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
CID 61363310

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide (CID 79206755) is N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide is NN/C(CSc1ccccc1)=N\C1CCCC1.
What is the InChIKey of N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide?
The InChIKey is IUBUIIKLGWULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c14-16-13(15-11-6-4-5-7-11)10-17-12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10,14H2,(H,15,16).
What are the key properties of N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide?
N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide has a molecular weight of 249.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide is sourced from PubChem (CID 79206755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).