2-(3-amino-2-methylcyclopentyl)sulfanylacetamide

C8H16N2OS — CID 130489795

IUPAC2-(3-amino-2-methylcyclopentyl)sulfanylacetamide
SMILESCC1C(N)CCC1SCC(N)=O
InChIInChI=1S/C8H16N2OS/c1-5-6(9)2-3-7(5)12-4-8(10)11/h5-7H,2-4,9H2,1H3,(H2,10,11)
InChIKeyIEGUZSROMQAUFE-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.33
Rot. Bonds3

About 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide

2-(3-amino-2-methylcyclopentyl)sulfanylacetamide (PubChem CID 130489795) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylcyclopentyl)sulfanylacetamide
PubChem CID130489795
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-(3-amino-2-methylcyclopentyl)sulfanylacetamide
SMILESCC1C(N)CCC1SCC(N)=O
InChIInChI=1S/C8H16N2OS/c1-5-6(9)2-3-7(5)12-4-8(10)11/h5-7H,2-4,9H2,1H3,(H2,10,11)
InChIKeyIEGUZSROMQAUFE-UHFFFAOYSA-N
XLogP0.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide?
The IUPAC name of 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide (CID 130489795) is 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide?
The canonical SMILES for 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide is CC1C(N)CCC1SCC(N)=O.
What is the InChIKey of 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide?
The InChIKey is IEGUZSROMQAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-5-6(9)2-3-7(5)12-4-8(10)11/h5-7H,2-4,9H2,1H3,(H2,10,11).
What are the key properties of 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide?
2-(3-amino-2-methylcyclopentyl)sulfanylacetamide has a molecular weight of 188.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylcyclopentyl)sulfanylacetamide is sourced from PubChem (CID 130489795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).