N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide

C14H24N2O2S — CID 45225487

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C14H24N2O2S/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyXLYCQKVLVWVWBP-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.65
Rot. Bonds5

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide (PubChem CID 45225487) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
PubChem CID45225487
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C14H24N2O2S/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyXLYCQKVLVWVWBP-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide (CID 45225487) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is XLYCQKVLVWVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 284.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 45225487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).