cyclopentyl-imino-methyl-oxo-λ6-sulfane

C6H13NOS — CID 122420492

IUPACcyclopentyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCCC1
InChIInChI=1S/C6H13NOS/c1-9(7,8)6-4-2-3-5-6/h6-7H,2-5H2,1H3
InChIKeySDVNYRDRAZCLCC-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.61
Rot. Bonds1

About cyclopentyl-imino-methyl-oxo-λ6-sulfane

cyclopentyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 122420492) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is cyclopentyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopentyl-imino-methyl-oxo-λ6-sulfane
PubChem CID122420492
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Namecyclopentyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCCC1
InChIInChI=1S/C6H13NOS/c1-9(7,8)6-4-2-3-5-6/h6-7H,2-5H2,1H3
InChIKeySDVNYRDRAZCLCC-UHFFFAOYSA-N
XLogP1.61
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of cyclopentyl-imino-methyl-oxo-λ6-sulfane (CID 122420492) is cyclopentyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for cyclopentyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for cyclopentyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is SDVNYRDRAZCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9(7,8)6-4-2-3-5-6/h6-7H,2-5H2,1H3.
What are the key properties of cyclopentyl-imino-methyl-oxo-λ6-sulfane?
cyclopentyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 147.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 122420492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).