2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide

C13H25NO2S — CID 111539170

IUPAC2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)N(C)C(=O)CC1(O)CCCC1
InChIInChI=1S/C13H25NO2S/c1-11(6-9-17-3)14(2)12(15)10-13(16)7-4-5-8-13/h11,16H,4-10H2,1-3H3
InChIKeyFBIFVCBDXDBHGI-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.28
Rot. Bonds6

About 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide

2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide (PubChem CID 111539170) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
PubChem CID111539170
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)N(C)C(=O)CC1(O)CCCC1
InChIInChI=1S/C13H25NO2S/c1-11(6-9-17-3)14(2)12(15)10-13(16)7-4-5-8-13/h11,16H,4-10H2,1-3H3
InChIKeyFBIFVCBDXDBHGI-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide (CID 111539170) is 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide is CSCCC(C)N(C)C(=O)CC1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is FBIFVCBDXDBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(6-9-17-3)14(2)12(15)10-13(16)7-4-5-8-13/h11,16H,4-10H2,1-3H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 259.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 111539170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).