N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide

C12H20N2O3S — CID 80506787

IUPACN-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-17-9-10-18(15,16)14-8-7-12(13)11-5-3-2-4-6-11/h2-6,12,14H,7-10,13H2,1H3
InChIKeyDEZCXOVINDTJSL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.64
Rot. Bonds8

About N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide

N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide (PubChem CID 80506787) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
PubChem CID80506787
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-17-9-10-18(15,16)14-8-7-12(13)11-5-3-2-4-6-11/h2-6,12,14H,7-10,13H2,1H3
InChIKeyDEZCXOVINDTJSL-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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
CID 80505534
2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
CID 55014069
N-(2-amino-2-phenylethyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119527626
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110356277
[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
CID 119976299

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide (CID 80506787) is N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide?
The InChIKey is DEZCXOVINDTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-17-9-10-18(15,16)14-8-7-12(13)11-5-3-2-4-6-11/h2-6,12,14H,7-10,13H2,1H3.
What are the key properties of N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide?
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide 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-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 80506787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).