N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide

C7H17NO4S — CID 103887492

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(CCO)COC
InChIInChI=1S/C7H17NO4S/c1-3-13(10,11)8-7(4-5-9)6-12-2/h7-9H,3-6H2,1-2H3
InChIKeyOPKVDAXIYMPSJK-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.68
Rot. Bonds7

About N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide

N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide (PubChem CID 103887492) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
PubChem CID103887492
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(CCO)COC
InChIInChI=1S/C7H17NO4S/c1-3-13(10,11)8-7(4-5-9)6-12-2/h7-9H,3-6H2,1-2H3
InChIKeyOPKVDAXIYMPSJK-UHFFFAOYSA-N
XLogP-0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide 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

N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103861215
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
N-(4-hydroxybutan-2-yl)ethanesulfonamide
CID 78998775
3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
CID 106157556
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
CID 103887499
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103861314
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 106159823
methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 103887524

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide (CID 103887492) is N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(CCO)COC.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
The InChIKey is OPKVDAXIYMPSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-3-13(10,11)8-7(4-5-9)6-12-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 103887492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).