N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine

C6H15ClN2O2S — CID 19744980

IUPACN'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCS(=O)(=O)CCCl
InChIInChI=1S/C6H15ClN2O2S/c7-1-5-12(10,11)6-4-9-3-2-8/h9H,1-6,8H2
InChIKeyJPHYXDDDJCRDPU-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.81
Rot. Bonds7

About N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine

N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine (PubChem CID 19744980) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine
PubChem CID19744980
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC NameN'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCS(=O)(=O)CCCl
InChIInChI=1S/C6H15ClN2O2S/c7-1-5-12(10,11)6-4-9-3-2-8/h9H,1-6,8H2
InChIKeyJPHYXDDDJCRDPU-UHFFFAOYSA-N
XLogP-0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
CID 175486364
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
1,2-bis(2-chloroethylsulfonyl)ethane
CID 19847
sodium 2-(2-aminoethylamino)ethanesulfonate
CID 23686675
3-[3-(2-chloroethylsulfonyl)propylamino]propanenitrile
CID 19078109
3-(2-chloroethylsulfonyl)-N-methylpropan-1-amine
CID 19078105
sodium;2-(2-aminoethylamino)ethanesulfonate;hydrate
CID 172552066
N'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine
CID 19434773
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine (CID 19744980) is N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine is NCCNCCS(=O)(=O)CCCl.
What is the InChIKey of N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine?
The InChIKey is JPHYXDDDJCRDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2O2S/c7-1-5-12(10,11)6-4-9-3-2-8/h9H,1-6,8H2.
What are the key properties of N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine?
N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine has a molecular weight of 214.72 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloroethylsulfonyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 19744980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).