1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one

C11H21NOS — CID 67806974

IUPAC1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one
SMILESCC(C)SCC1CCN(C(C)C)C1=O
InChIInChI=1S/C11H21NOS/c1-8(2)12-6-5-10(11(12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyCNLRHBDDNCHYTE-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.38
Rot. Bonds4

About 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one

1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one (PubChem CID 67806974) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one
PubChem CID67806974
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one
SMILESCC(C)SCC1CCN(C(C)C)C1=O
InChIInChI=1S/C11H21NOS/c1-8(2)12-6-5-10(11(12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyCNLRHBDDNCHYTE-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one (CID 67806974) is 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one is CC(C)SCC1CCN(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one?
The InChIKey is CNLRHBDDNCHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8(2)12-6-5-10(11(12)13)7-14-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one?
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one has a molecular weight of 215.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 67806974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).