2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide

C11H22N2O3S — CID 64683673

IUPAC2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)8-7-13-10(14)9-11(12)5-3-2-4-6-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyHFYGFTZZQZKCFW-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.20
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide

2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide (PubChem CID 64683673) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide
PubChem CID64683673
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)8-7-13-10(14)9-11(12)5-3-2-4-6-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyHFYGFTZZQZKCFW-UHFFFAOYSA-N
XLogP0.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide (CID 64683673) is 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is HFYGFTZZQZKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)8-7-13-10(14)9-11(12)5-3-2-4-6-11/h2-9,12H2,1H3,(H,13,14).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide?
2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 262.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 64683673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).