N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide

C11H24N2O4S — CID 114232868

IUPACN,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CC(CCO)NC
InChIInChI=1S/C11H24N2O4S/c1-4-13(5-2)11(15)9-18(16,17)8-10(12-3)6-7-14/h10,12,14H,4-9H2,1-3H3
InChIKeyJXDITSZKQSAUQU-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.76
Rot. Bonds9

About N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide

N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide (PubChem CID 114232868) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide
PubChem CID114232868
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC NameN,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CC(CCO)NC
InChIInChI=1S/C11H24N2O4S/c1-4-13(5-2)11(15)9-18(16,17)8-10(12-3)6-7-14/h10,12,14H,4-9H2,1-3H3
InChIKeyJXDITSZKQSAUQU-UHFFFAOYSA-N
XLogP-0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-(methylamino)pentylsulfonyl]acetate
CID 64675178
2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid
CID 119206205
N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide
CID 114232617
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156
3-(methylamino)nonan-1-ol
CID 65235222
3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
CID 64899677
4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
CID 64900542
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
3-(methylamino)heptan-1-ol
CID 13033821
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
CID 63665762
N,N-diethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552369

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide?
The IUPAC name of N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide (CID 114232868) is N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide is CCN(CC)C(=O)CS(=O)(=O)CC(CCO)NC.
What is the InChIKey of N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide?
The InChIKey is JXDITSZKQSAUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-13(5-2)11(15)9-18(16,17)8-10(12-3)6-7-14/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide?
N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide has a molecular weight of 280.39 g/mol, XLogP of -0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide is sourced from PubChem (CID 114232868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).