2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide

C10H21NO3S — CID 61236004

IUPAC2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
SMILESCCCCSCC(=O)N(CCO)CCO
InChIInChI=1S/C10H21NO3S/c1-2-3-8-15-9-10(14)11(4-6-12)5-7-13/h12-13H,2-9H2,1H3
InChIKeyPTUXQAXZNIHHNQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.33
Rot. Bonds9

About 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide

2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 61236004) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID61236004
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
SMILESCCCCSCC(=O)N(CCO)CCO
InChIInChI=1S/C10H21NO3S/c1-2-3-8-15-9-10(14)11(4-6-12)5-7-13/h12-13H,2-9H2,1H3
InChIKeyPTUXQAXZNIHHNQ-UHFFFAOYSA-N
XLogP0.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.33
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

2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide
CID 71326230
2-butylsulfanyl-N,N-diethylacetamide
CID 12528633
N-butyl-N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 61444420
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 137466262
2-[(2-butylsulfanylacetyl)-methylamino]acetic acid
CID 43356278
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
3-[(2-butylsulfanylacetyl)-propan-2-ylamino]propanoic acid
CID 60831611
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide (CID 61236004) is 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide is CCCCSCC(=O)N(CCO)CCO.
What is the InChIKey of 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is PTUXQAXZNIHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-3-8-15-9-10(14)11(4-6-12)5-7-13/h12-13H,2-9H2,1H3.
What are the key properties of 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 235.35 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61236004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).