N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine

C12H20N2O2S — CID 14855226

IUPACN-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-14(2)10-8-13-9-11-17(15,16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyDIJBPGZMUVGFFJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.61
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 14855226) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID14855226
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-14(2)10-8-13-9-11-17(15,16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyDIJBPGZMUVGFFJ-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
CID 2818766
N-(2-Diethylamino-ethyl)-4-iodo-benzenesulfonamide
CID 10833752
N-methyl-2-(4-phenylsulfanylpiperidin-1-yl)ethanamine
CID 134131930
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
4-(Benzenesulfonyl)butan-1-amine
CID 28753392
4-(benzenesulfonyl)-N,N-dimethylbutan-1-amine
CID 73351203
3-(Phenylsulfonyl)pyrrolidine hydrochloride
CID 44118718
Suricainide
CID 55304
N-[2-(Diethylamino)ethyl]-2-Fluoranyl-Benzenesulfonamide
CID 2161439

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 14855226) is N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DIJBPGZMUVGFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-14(2)10-8-13-9-11-17(15,16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 256.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 14855226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).