N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide

C8H16ClNO3S — CID 115674519

IUPACN-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C8H16ClNO3S/c1-7(2)13-4-5-14(11,12)10-6-8(3)9/h7,10H,3-6H2,1-2H3
InChIKeyLIIMQKWZRVHLAX-UHFFFAOYSA-N
MW241.74 g/mol
LogP1.08
Rot. Bonds7

About N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide

N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 115674519) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID115674519
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC NameN-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C8H16ClNO3S/c1-7(2)13-4-5-14(11,12)10-6-8(3)9/h7,10H,3-6H2,1-2H3
InChIKeyLIIMQKWZRVHLAX-UHFFFAOYSA-N
XLogP1.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide 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'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229868
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120598489
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243
2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
CID 107258283

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide (CID 115674519) is N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide is C=C(Cl)CNS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is LIIMQKWZRVHLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-7(2)13-4-5-14(11,12)10-6-8(3)9/h7,10H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 115674519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).