N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide

C11H21NO3S — CID 134950008

IUPACN-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide
SMILESCC(=O)N[C@H](CS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-9(13)12-11(8-16(2,14)15)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyYIUBRNWUPAXNOL-LLVKDONJSA-N
MW247.36 g/mol
LogP1.12
Rot. Bonds4

About N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide

N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide (PubChem CID 134950008) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide
PubChem CID134950008
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide
SMILESCC(=O)N[C@H](CS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-9(13)12-11(8-16(2,14)15)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyYIUBRNWUPAXNOL-LLVKDONJSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3242717
N-cyclohexyl-2-(methylsulfonyl)acetamide
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N-ethyl-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
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N-(cyclobutylmethyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
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2-cyclohexyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
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2-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-methylcyclohexyl)acetamide
CID 3841524
(3R)-N-(4-methylcyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 25676322
2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide
CID 56789355
N-[(2S)-1-methylsulfonylpropan-2-yl]cycloheptanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide (CID 134950008) is N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide is CC(=O)N[C@H](CS(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide?
The InChIKey is YIUBRNWUPAXNOL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9(13)12-11(8-16(2,14)15)10-6-4-3-5-7-10/h10-11H,3-8H2,1-2H3,(H,12,13)/t11-/m1/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide?
N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide has a molecular weight of 247.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide is sourced from PubChem (CID 134950008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).