N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine

C12H20N2O2S — CID 110608620

IUPACN-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine
SMILESCCNS(=O)(=O)NCC(C)Cc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-3-13-17(15,16)14-10-11(2)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyMXSNHHCRUYSRLS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.31
Rot. Bonds7

About N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine

N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine (PubChem CID 110608620) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine
PubChem CID110608620
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine
SMILESCCNS(=O)(=O)NCC(C)Cc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-3-13-17(15,16)14-10-11(2)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyMXSNHHCRUYSRLS-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143
N-(ethylsulfamoyl)-3-phenyl-2-pyrrolidin-1-ylpropan-1-amine
CID 110611088
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 110620930
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
N-(ethylsulfamoyl)-2-methyl-1-phenylpropan-2-amine
CID 110628381
N-(2-benzyl-3-methylbutyl)methanesulfonamide
CID 91651363
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
4-(2-methyl-3-phenylpropyl)benzenesulfonic acid
CID 56626694

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine?
The IUPAC name of N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine (CID 110608620) is N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine?
The canonical SMILES for N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine is CCNS(=O)(=O)NCC(C)Cc1ccccc1.
What is the InChIKey of N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine?
The InChIKey is MXSNHHCRUYSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-13-17(15,16)14-10-11(2)9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3.
What are the key properties of N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine?
N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 110608620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).