N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide

C12H20N2O3S — CID 63290200

IUPACN-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(CN)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-17-8-5-9-18(15,16)14-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10,13H2,1H3
InChIKeyBMTQXFLYEZEXEY-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.64
Rot. Bonds8

About N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide

N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide (PubChem CID 63290200) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
PubChem CID63290200
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(CN)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-17-8-5-9-18(15,16)14-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10,13H2,1H3
InChIKeyBMTQXFLYEZEXEY-UHFFFAOYSA-N
XLogP0.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 65031129
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066
[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
CID 112684756
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
CID 55014069
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
N-[1-(4-bromophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 55171538

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide (CID 63290200) is N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC(CN)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is BMTQXFLYEZEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-17-8-5-9-18(15,16)14-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10,13H2,1H3.
What are the key properties of N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide?
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).