N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide

C13H26N2O2S — CID 119808963

IUPACN-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide
SMILESCCSC1CCCCC1NC(=O)CNCCOC
InChIInChI=1S/C13H26N2O2S/c1-3-18-12-7-5-4-6-11(12)15-13(16)10-14-8-9-17-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyFTVDWHYAJNIFQB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.40
Rot. Bonds8

About N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide

N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 119808963) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide
PubChem CID119808963
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide
SMILESCCSC1CCCCC1NC(=O)CNCCOC
InChIInChI=1S/C13H26N2O2S/c1-3-18-12-7-5-4-6-11(12)15-13(16)10-14-8-9-17-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyFTVDWHYAJNIFQB-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylcyclohexyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119732978
N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide
CID 99850036
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
CID 79282045
ethyl 4-[(2-ethylsulfanylcyclopentyl)amino]-4-oxobutanoate
CID 113249263
N-(1-cyclopentylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide
CID 119846699
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 96529679
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119952204

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide (CID 119808963) is N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide is CCSC1CCCCC1NC(=O)CNCCOC.
What is the InChIKey of N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is FTVDWHYAJNIFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-18-12-7-5-4-6-11(12)15-13(16)10-14-8-9-17-2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide?
N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 274.43 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119808963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).