2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide

C11H20N2O2S — CID 96519739

IUPAC2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide
SMILESCS[C@@H]1CCC[C@@H]1N(C)C(=O)CNC(C)=O
InChIInChI=1S/C11H20N2O2S/c1-8(14)12-7-11(15)13(2)9-5-4-6-10(9)16-3/h9-10H,4-7H2,1-3H3,(H,12,14)/t9-,10+/m0/s1
InChIKeyVMLUSKSVOHJMGA-VHSXEESVSA-N
MW244.36 g/mol
LogP0.87
Rot. Bonds4

About 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide

2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide (PubChem CID 96519739) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide
PubChem CID96519739
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide
SMILESCS[C@@H]1CCC[C@@H]1N(C)C(=O)CNC(C)=O
InChIInChI=1S/C11H20N2O2S/c1-8(14)12-7-11(15)13(2)9-5-4-6-10(9)16-3/h9-10H,4-7H2,1-3H3,(H,12,14)/t9-,10+/m0/s1
InChIKeyVMLUSKSVOHJMGA-VHSXEESVSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide
CID 71849148
2-acetamido-N-[(1R,2S,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-N-methylacetamide
CID 110128170
2-acetamido-N-methyl-N-[(1R,2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]acetamide
CID 97242943
2-acetamido-N-[(1R,2S,3R)-3-(2-benzylanilino)-2-hydroxycyclohexyl]-N-methylacetamide
CID 155984604
(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
CID 99850045
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
2-amino-N-[2-[(2-hydroxycyclohexyl)-methylamino]-2-oxoethyl]acetamide
CID 102631962
(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide
CID 97324947
2-[methyl-[(1R,2S)-2-methylsulfanylcyclopentyl]amino]-N-phenacylacetamide
CID 96832429
2-(ethylamino)-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]pyridine-4-carboxamide
CID 97321389
N-[2-(dimethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 39969864
2-hydroxy-N-methyl-N-(2-methylsulfanylcyclopentyl)-1,3-dihydroindene-2-carboxamide
CID 71866641

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide?
The IUPAC name of 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide (CID 96519739) is 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide is CS[C@@H]1CCC[C@@H]1N(C)C(=O)CNC(C)=O.
What is the InChIKey of 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide?
The InChIKey is VMLUSKSVOHJMGA-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(14)12-7-11(15)13(2)9-5-4-6-10(9)16-3/h9-10H,4-7H2,1-3H3,(H,12,14)/t9-,10+/m0/s1.
What are the key properties of 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide?
2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide has a molecular weight of 244.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide is sourced from PubChem (CID 96519739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).