2-cyclopentylsulfanylethanimidamide

C7H14N2S — CID 63114985

IUPAC2-cyclopentylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSC1CCCC1
InChIInChI=1S/C7H14N2S/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H3,8,9)
InChIKeyHVBUXDLTCALOEU-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.60
Rot. Bonds3

About 2-cyclopentylsulfanylethanimidamide

2-cyclopentylsulfanylethanimidamide (PubChem CID 63114985) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-cyclopentylsulfanylethanimidamide.

Molecular Properties

Compound Name2-cyclopentylsulfanylethanimidamide
PubChem CID63114985
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-cyclopentylsulfanylethanimidamide
SMILES[H]/N=C(\N)CSC1CCCC1
InChIInChI=1S/C7H14N2S/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H3,8,9)
InChIKeyHVBUXDLTCALOEU-UHFFFAOYSA-N
XLogP1.60
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanylethanimidamide?
The IUPAC name of 2-cyclopentylsulfanylethanimidamide (CID 63114985) is 2-cyclopentylsulfanylethanimidamide.
What is the SMILES notation for 2-cyclopentylsulfanylethanimidamide?
The canonical SMILES for 2-cyclopentylsulfanylethanimidamide is [H]/N=C(\N)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanylethanimidamide?
The InChIKey is HVBUXDLTCALOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H3,8,9).
What are the key properties of 2-cyclopentylsulfanylethanimidamide?
2-cyclopentylsulfanylethanimidamide has a molecular weight of 158.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanylethanimidamide is sourced from PubChem (CID 63114985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).