N-butyl-2-(2-hydroxyethylsulfonyl)acetamide

C8H17NO4S — CID 82181707

IUPACN-butyl-2-(2-hydroxyethylsulfonyl)acetamide
SMILESCCCCNC(=O)CS(=O)(=O)CCO
InChIInChI=1S/C8H17NO4S/c1-2-3-4-9-8(11)7-14(12,13)6-5-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyFZFJLBDFWAMIAR-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.69
Rot. Bonds7

About N-butyl-2-(2-hydroxyethylsulfonyl)acetamide

N-butyl-2-(2-hydroxyethylsulfonyl)acetamide (PubChem CID 82181707) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-butyl-2-(2-hydroxyethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-hydroxyethylsulfonyl)acetamide
PubChem CID82181707
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-butyl-2-(2-hydroxyethylsulfonyl)acetamide
SMILESCCCCNC(=O)CS(=O)(=O)CCO
InChIInChI=1S/C8H17NO4S/c1-2-3-4-9-8(11)7-14(12,13)6-5-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyFZFJLBDFWAMIAR-UHFFFAOYSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.69
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-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
N-propyl-2-propylsulfonylacetamide
CID 86989509
2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82181706
5-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 119234428
N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide
CID 156532549
N-(3-propylsulfonylpropyl)propanamide
CID 146416714
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391501
N-butyl-N'-pentylpropanediamide
CID 89202031
3-hydroxy-N-pentylpropanamide
CID 94252202
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
N-butyl-3-oxobutanamide
CID 5161533

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-hydroxyethylsulfonyl)acetamide?
The IUPAC name of N-butyl-2-(2-hydroxyethylsulfonyl)acetamide (CID 82181707) is N-butyl-2-(2-hydroxyethylsulfonyl)acetamide.
What is the SMILES notation for N-butyl-2-(2-hydroxyethylsulfonyl)acetamide?
The canonical SMILES for N-butyl-2-(2-hydroxyethylsulfonyl)acetamide is CCCCNC(=O)CS(=O)(=O)CCO.
What is the InChIKey of N-butyl-2-(2-hydroxyethylsulfonyl)acetamide?
The InChIKey is FZFJLBDFWAMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-2-3-4-9-8(11)7-14(12,13)6-5-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of N-butyl-2-(2-hydroxyethylsulfonyl)acetamide?
N-butyl-2-(2-hydroxyethylsulfonyl)acetamide has a molecular weight of 223.29 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-hydroxyethylsulfonyl)acetamide is sourced from PubChem (CID 82181707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).