ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane

C8H17NOS — CID 165438507

IUPACethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)C1CCCC1C
InChIInChI=1S/C8H17NOS/c1-3-11(9,10)8-6-4-5-7(8)2/h7-9H,3-6H2,1-2H3
InChIKeyVNEOUOTVXBRPGX-UHFFFAOYSA-N
MW175.30 g/mol
LogP2.24
Rot. Bonds2

About ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane

ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane (PubChem CID 165438507) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane
PubChem CID165438507
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Nameethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)C1CCCC1C
InChIInChI=1S/C8H17NOS/c1-3-11(9,10)8-6-4-5-7(8)2/h7-9H,3-6H2,1-2H3
InChIKeyVNEOUOTVXBRPGX-UHFFFAOYSA-N
XLogP2.24
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane?
The IUPAC name of ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane (CID 165438507) is ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane?
The canonical SMILES for ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane is [H]N=S(=O)(CC)C1CCCC1C.
What is the InChIKey of ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane?
The InChIKey is VNEOUOTVXBRPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-11(9,10)8-6-4-5-7(8)2/h7-9H,3-6H2,1-2H3.
What are the key properties of ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane?
ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane has a molecular weight of 175.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(2-methylcyclopentyl)-oxo-λ6-sulfane is sourced from PubChem (CID 165438507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).