N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide

C16H29NO4S — CID 124856790

IUPACN-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
SMILESC[C@@H]1CCC[C@H](OCC(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)C1
InChIInChI=1S/C16H29NO4S/c1-12-6-4-7-13(10-12)21-11-16(18)17(2)14-8-5-9-15(14)22(3,19)20/h12-15H,4-11H2,1-3H3/t12-,13+,14+,15+/m1/s1
InChIKeyRYNSJAPIAIAWTD-QPSCCSFWSA-N
MW331.48 g/mol
LogP2.01
Rot. Bonds5

About N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide

N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide (PubChem CID 124856790) has the molecular formula C16H29NO4S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
PubChem CID124856790
Molecular FormulaC16H29NO4S
Molecular Weight331.48 g/mol
Exact Mass331.18
IUPAC NameN-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
SMILESC[C@@H]1CCC[C@H](OCC(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)C1
InChIInChI=1S/C16H29NO4S/c1-12-6-4-7-13(10-12)21-11-16(18)17(2)14-8-5-9-15(14)22(3,19)20/h12-15H,4-11H2,1-3H3/t12-,13+,14+,15+/m1/s1
InChIKeyRYNSJAPIAIAWTD-QPSCCSFWSA-N
XLogP2.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide with MolForge

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Related Compounds

2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
CID 99850023
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 111596559
N-ethyl-N-(3-methylbutan-2-yl)-2-(3-methylcyclohexyl)oxyacetamide
CID 86941609
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[4-[methyl-[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]butyl]acetamide
CID 124856388
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798
2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 96998024
3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212443
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
CID 96503144
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide?
The IUPAC name of N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide (CID 124856790) is N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide.
What is the SMILES notation for N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide?
The canonical SMILES for N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide is C[C@@H]1CCC[C@H](OCC(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide?
The InChIKey is RYNSJAPIAIAWTD-QPSCCSFWSA-N. The full InChI is InChI=1S/C16H29NO4S/c1-12-6-4-7-13(10-12)21-11-16(18)17(2)14-8-5-9-15(14)22(3,19)20/h12-15H,4-11H2,1-3H3/t12-,13+,14+,15+/m1/s1.
What are the key properties of N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide?
N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide has a molecular weight of 331.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide is sourced from PubChem (CID 124856790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).