cyclopentyl-methyl-methylimino-oxo-λ6-sulfane

C7H15NOS — CID 167494034

IUPACcyclopentyl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)C1CCCC1
InChIInChI=1S/C7H15NOS/c1-8-10(2,9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
InChIKeyKKDLEWCCXNRWQZ-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.66
Rot. Bonds1

About cyclopentyl-methyl-methylimino-oxo-λ6-sulfane

cyclopentyl-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 167494034) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is cyclopentyl-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopentyl-methyl-methylimino-oxo-λ6-sulfane
PubChem CID167494034
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Namecyclopentyl-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=S(C)(=O)C1CCCC1
InChIInChI=1S/C7H15NOS/c1-8-10(2,9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
InChIKeyKKDLEWCCXNRWQZ-UHFFFAOYSA-N
XLogP1.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of cyclopentyl-methyl-methylimino-oxo-λ6-sulfane (CID 167494034) is cyclopentyl-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for cyclopentyl-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for cyclopentyl-methyl-methylimino-oxo-λ6-sulfane is CN=S(C)(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is KKDLEWCCXNRWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-10(2,9)7-5-3-4-6-7/h7H,3-6H2,1-2H3.
What are the key properties of cyclopentyl-methyl-methylimino-oxo-λ6-sulfane?
cyclopentyl-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 161.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 167494034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).