N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine

C12H21N3O2S — CID 110620930

IUPACN'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCCNS(=O)(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C12H21N3O2S/c1-4-13-18(16,17)14-10-12(15(2)3)11-8-6-5-7-9-11/h5-9,12-14H,4,10H2,1-3H3
InChIKeyMKSAFWTUIKHCPU-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.73
Rot. Bonds7

About N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 110620930) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID110620930
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCCNS(=O)(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C12H21N3O2S/c1-4-13-18(16,17)14-10-12(15(2)3)11-8-6-5-7-9-11/h5-9,12-14H,4,10H2,1-3H3
InChIKeyMKSAFWTUIKHCPU-UHFFFAOYSA-N
XLogP0.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(dimethylamino)-2-phenylethyl]cyclopentanesulfonamide
CID 110301928
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine
CID 110608620
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
CID 61252712
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
CID 110605719
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481

Frequently Asked Questions

What is the IUPAC name of N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 110620930) is N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine is CCNS(=O)(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is MKSAFWTUIKHCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-13-18(16,17)14-10-12(15(2)3)11-8-6-5-7-9-11/h5-9,12-14H,4,10H2,1-3H3.
What are the key properties of N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 271.39 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 110620930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).