cyclopentyl-imino-oxo-propyl-λ6-sulfane

C8H17NOS — CID 165438192

IUPACcyclopentyl-imino-oxo-propyl-λ6-sulfane
SMILES[H]N=S(=O)(CCC)C1CCCC1
InChIInChI=1S/C8H17NOS/c1-2-7-11(9,10)8-5-3-4-6-8/h8-9H,2-7H2,1H3
InChIKeyAPUMISRIXHWUII-UHFFFAOYSA-N
MW175.30 g/mol
LogP2.39
Rot. Bonds3

About cyclopentyl-imino-oxo-propyl-λ6-sulfane

cyclopentyl-imino-oxo-propyl-λ6-sulfane (PubChem CID 165438192) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is cyclopentyl-imino-oxo-propyl-λ6-sulfane.

Molecular Properties

Compound Namecyclopentyl-imino-oxo-propyl-λ6-sulfane
PubChem CID165438192
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Namecyclopentyl-imino-oxo-propyl-λ6-sulfane
SMILES[H]N=S(=O)(CCC)C1CCCC1
InChIInChI=1S/C8H17NOS/c1-2-7-11(9,10)8-5-3-4-6-8/h8-9H,2-7H2,1H3
InChIKeyAPUMISRIXHWUII-UHFFFAOYSA-N
XLogP2.39
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125456534
undecylsulfonylcyclohexane
CID 151596280
heptylsulfonylcyclooctane
CID 134525047
ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
CID 165438824
cyclobutyl-imino-methyl-oxo-λ6-sulfane
CID 167262038
2,3,3-trimethylbutan-2-ylsulfonylcyclopentane
CID 71106121
3-propylsulfonylcyclohexan-1-amine
CID 64715677
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
N-(2-cyclopentylsulfonylethyl)butan-1-amine
CID 106512849
4-cyclopentylsulfonyl-2-methylbutan-2-amine
CID 117036332
1-cyclopentylbutane-1-sulfonamide
CID 165443509
N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 60643282

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-imino-oxo-propyl-λ6-sulfane?
The IUPAC name of cyclopentyl-imino-oxo-propyl-λ6-sulfane (CID 165438192) is cyclopentyl-imino-oxo-propyl-λ6-sulfane.
What is the SMILES notation for cyclopentyl-imino-oxo-propyl-λ6-sulfane?
The canonical SMILES for cyclopentyl-imino-oxo-propyl-λ6-sulfane is [H]N=S(=O)(CCC)C1CCCC1.
What is the InChIKey of cyclopentyl-imino-oxo-propyl-λ6-sulfane?
The InChIKey is APUMISRIXHWUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-7-11(9,10)8-5-3-4-6-8/h8-9H,2-7H2,1H3.
What are the key properties of cyclopentyl-imino-oxo-propyl-λ6-sulfane?
cyclopentyl-imino-oxo-propyl-λ6-sulfane has a molecular weight of 175.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-imino-oxo-propyl-λ6-sulfane is sourced from PubChem (CID 165438192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).