ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one

C10H21NOS — CID 91415588

IUPACethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one
SMILESCC.CCSC1CC(=O)N(CC)C1
InChIInChI=1S/C8H15NOS.C2H6/c1-3-9-6-7(11-4-2)5-8(9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyXHIVGBXBNPRPJT-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds3

About ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one

ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one (PubChem CID 91415588) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one
PubChem CID91415588
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Nameethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one
SMILESCC.CCSC1CC(=O)N(CC)C1
InChIInChI=1S/C8H15NOS.C2H6/c1-3-9-6-7(11-4-2)5-8(9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyXHIVGBXBNPRPJT-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one?
The IUPAC name of ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one (CID 91415588) is ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one.
What is the SMILES notation for ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one?
The canonical SMILES for ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one is CC.CCSC1CC(=O)N(CC)C1.
What is the InChIKey of ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one?
The InChIKey is XHIVGBXBNPRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.C2H6/c1-3-9-6-7(11-4-2)5-8(9)10;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one?
ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one has a molecular weight of 203.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-ethylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 91415588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).