3-cyclopentylsulfanyl-N'-hydroxypropanimidamide

C8H16N2OS — CID 76982856

IUPAC3-cyclopentylsulfanyl-N'-hydroxypropanimidamide
SMILESNC(CCSC1CCCC1)=NO
InChIInChI=1S/C8H16N2OS/c9-8(10-11)5-6-12-7-3-1-2-4-7/h7,11H,1-6H2,(H2,9,10)
InChIKeyDJVMOZCKXGGKBU-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.80
Rot. Bonds4

About 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide

3-cyclopentylsulfanyl-N'-hydroxypropanimidamide (PubChem CID 76982856) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-N'-hydroxypropanimidamide
PubChem CID76982856
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-cyclopentylsulfanyl-N'-hydroxypropanimidamide
SMILESNC(CCSC1CCCC1)=NO
InChIInChI=1S/C8H16N2OS/c9-8(10-11)5-6-12-7-3-1-2-4-7/h7,11H,1-6H2,(H2,9,10)
InChIKeyDJVMOZCKXGGKBU-UHFFFAOYSA-N
XLogP1.80
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.80
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 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide?
The IUPAC name of 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide (CID 76982856) is 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide?
The canonical SMILES for 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide is NC(CCSC1CCCC1)=NO.
What is the InChIKey of 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide?
The InChIKey is DJVMOZCKXGGKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-8(10-11)5-6-12-7-3-1-2-4-7/h7,11H,1-6H2,(H2,9,10).
What are the key properties of 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide?
3-cyclopentylsulfanyl-N'-hydroxypropanimidamide has a molecular weight of 188.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-N'-hydroxypropanimidamide is sourced from PubChem (CID 76982856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).