N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

C10H19NO2S — CID 102684178

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C10H19NO2S/c1-14-8-5-10(13)11(6-7-12)9-3-2-4-9/h9,12H,2-8H2,1H3
InChIKeyWOCRKIPWMUZTQG-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.11
Rot. Bonds6

About N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 102684178) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID102684178
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C10H19NO2S/c1-14-8-5-10(13)11(6-7-12)9-3-2-4-9/h9,12H,2-8H2,1H3
InChIKeyWOCRKIPWMUZTQG-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diacetylmethioninol
CID 129647021
N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 90224511
N,N-diethyl-4-(2-hydroxyethylsulfanyl)butanamide
CID 43393652
2-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572956
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572975
N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
CID 43572982
N-(2-hydroxyethyl)-3-methylsulfanyl-N-propan-2-ylpropanamide
CID 43573006
N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-propan-2-ylacetamide
CID 43573346
N-(2-hydroxyethyl)-N-propan-2-yl-2-propan-2-ylsulfanylacetamide
CID 43573598
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573762
N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
CID 43577005
N-cyclopropyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 43577029

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 102684178) is N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCCC(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is WOCRKIPWMUZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14-8-5-10(13)11(6-7-12)9-3-2-4-9/h9,12H,2-8H2,1H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 102684178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).