N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide

C8H17NO4S — CID 61344263

IUPACN-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide
SMILESCCCN(CCO)C(=O)CS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-3-4-9(5-6-10)8(11)7-14(2,12)13/h10H,3-7H2,1-2H3
InChIKeyADVYQSAXCZIMSK-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.74
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide

N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide (PubChem CID 61344263) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide
PubChem CID61344263
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide
SMILESCCCN(CCO)C(=O)CS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-3-4-9(5-6-10)8(11)7-14(2,12)13/h10H,3-7H2,1-2H3
InChIKeyADVYQSAXCZIMSK-UHFFFAOYSA-N
XLogP-0.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide (CID 61344263) is N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide is CCCN(CCO)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide?
The InChIKey is ADVYQSAXCZIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-4-9(5-6-10)8(11)7-14(2,12)13/h10H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide?
N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide has a molecular weight of 223.29 g/mol, XLogP of -0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylsulfonyl-N-propylacetamide is sourced from PubChem (CID 61344263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).