N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide

C9H18Cl2N2O2S — CID 79168502

IUPACN-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNCC(Cl)=CCl)S(C)(=O)=O
InChIInChI=1S/C9H18Cl2N2O2S/c1-3-13(16(2,14)15)6-4-5-12-8-9(11)7-10/h7,12H,3-6,8H2,1-2H3
InChIKeyALYUMVZXOPNPAZ-UHFFFAOYSA-N
MW289.23 g/mol
LogP1.57
Rot. Bonds8

About N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide

N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide (PubChem CID 79168502) has the molecular formula C9H18Cl2N2O2S and a molecular weight of 289.23 g/mol. Its IUPAC name is N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
PubChem CID79168502
Molecular FormulaC9H18Cl2N2O2S
Molecular Weight289.23 g/mol
Exact Mass288.05
IUPAC NameN-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNCC(Cl)=CCl)S(C)(=O)=O
InChIInChI=1S/C9H18Cl2N2O2S/c1-3-13(16(2,14)15)6-4-5-12-8-9(11)7-10/h7,12H,3-6,8H2,1-2H3
InChIKeyALYUMVZXOPNPAZ-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide 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-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 54903444
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79168321
N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 61488529
N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79167644
N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483
N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152
2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
CID 79167154
N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
CID 61013654
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
CID 131438238
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide (CID 79168502) is N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide is CCN(CCCNCC(Cl)=CCl)S(C)(=O)=O.
What is the InChIKey of N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is ALYUMVZXOPNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2N2O2S/c1-3-13(16(2,14)15)6-4-5-12-8-9(11)7-10/h7,12H,3-6,8H2,1-2H3.
What are the key properties of N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide?
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 289.23 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 79168502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).