2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide

C14H27NO2S — CID 54942982

IUPAC2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCSCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-2-3-11-18-12-14(17)15(9-10-16)13-7-5-4-6-8-13/h13,16H,2-12H2,1H3
InChIKeyBFUWWZGETWBUJB-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.67
Rot. Bonds8

About 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide

2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide (PubChem CID 54942982) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide
PubChem CID54942982
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCSCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-2-3-11-18-12-14(17)15(9-10-16)13-7-5-4-6-8-13/h13,16H,2-12H2,1H3
InChIKeyBFUWWZGETWBUJB-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bas 01185310
CID 655188
4-(2-Hydroxypropyl)-1-thia-4-azaspiro[4.5]decan-3-one
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N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 90224511
4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203177
4-[(2R)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203178
1-[2-(Hydroxymethyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 14192040
2-Butyl-3-(2-hydroxyethyl)-2-methyl-1,3-thiazolidin-4-one
CID 15326619
1-(2-Ethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone
CID 43392396
1-(2,6-Dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone
CID 43392413
N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392414
N-cyclohexyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43392416
2-(2-Hydroxyethylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 43392450

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide (CID 54942982) is 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide is CCCCSCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is BFUWWZGETWBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-3-11-18-12-14(17)15(9-10-16)13-7-5-4-6-8-13/h13,16H,2-12H2,1H3.
What are the key properties of 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 273.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 54942982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).