N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

C10H21NO2S — CID 103706039

IUPACN,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSC(C)C(C)O
InChIInChI=1S/C10H21NO2S/c1-5-11(6-2)10(13)7-14-9(4)8(3)12/h8-9,12H,5-7H2,1-4H3
InChIKeyZNAPGOZMYTWNRX-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds6

About N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 103706039) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID103706039
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSC(C)C(C)O
InChIInChI=1S/C10H21NO2S/c1-5-11(6-2)10(13)7-14-9(4)8(3)12/h8-9,12H,5-7H2,1-4H3
InChIKeyZNAPGOZMYTWNRX-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24832282
N-(3-hydroxybutyl)-N-methyl-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886825
N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 19389256
3-(2,3-dihydroxypropylsulfanyl)-N,N-diethylpropanamide
CID 59269993
3-(2,3-dihydroxypropylsulfanyl)-N,N-dimethylpropanamide
CID 79683109
N-butyl-2-[(5-hydroxypentyl)-thio]-N-methyl acetamide
CID 85637568
N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 90224511
N-ethyl-3-(2-hydroxyethylsulfanyl)-N-methylpropanamide
CID 126605296
2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide
CID 146586878
N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide
CID 148566298
S-[3-[4-hydroxybutyl(propanoyl)amino]propyl] ethanethioate
CID 170542231
N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide
CID 177087509

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (CID 103706039) is N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is CCN(CC)C(=O)CSC(C)C(C)O.
What is the InChIKey of N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is ZNAPGOZMYTWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-11(6-2)10(13)7-14-9(4)8(3)12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 103706039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).