2-(cyclopentylmethylsulfanyl)pentan-3-one

C11H20OS — CID 64867809

IUPAC2-(cyclopentylmethylsulfanyl)pentan-3-one
SMILESCCC(=O)C(C)SCC1CCCC1
InChIInChI=1S/C11H20OS/c1-3-11(12)9(2)13-8-10-6-4-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyXFEJFKZWJJFUCY-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.28
Rot. Bonds5

About 2-(cyclopentylmethylsulfanyl)pentan-3-one

2-(cyclopentylmethylsulfanyl)pentan-3-one (PubChem CID 64867809) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)pentan-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)pentan-3-one
PubChem CID64867809
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(cyclopentylmethylsulfanyl)pentan-3-one
SMILESCCC(=O)C(C)SCC1CCCC1
InChIInChI=1S/C11H20OS/c1-3-11(12)9(2)13-8-10-6-4-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyXFEJFKZWJJFUCY-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropylsulfanyl)pentan-3-one
CID 60975313
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
2-(cyclopentylmethylsulfanyl)pentan-3-amine
CID 64627210
ethyl 3-(cyclopentylmethylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63120109
ethane;methylcyclohexane;2-methylpentan-3-one
CID 177135941
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64704550
ethyl 2-(3-oxopentan-2-ylsulfanyl)acetate
CID 64866091
2-(cyclohexylmethylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60603562
1-(cyclopentylmethylsulfanyl)propan-2-ol
CID 63119780
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)pentan-3-one?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)pentan-3-one (CID 64867809) is 2-(cyclopentylmethylsulfanyl)pentan-3-one.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)pentan-3-one?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)pentan-3-one is CCC(=O)C(C)SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)pentan-3-one?
The InChIKey is XFEJFKZWJJFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-11(12)9(2)13-8-10-6-4-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)pentan-3-one?
2-(cyclopentylmethylsulfanyl)pentan-3-one has a molecular weight of 200.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)pentan-3-one is sourced from PubChem (CID 64867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).