tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate

C17H21NO4S — CID 3667575

IUPACtert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO4S/c1-17(2,3)22-16(19)11-12-18-23(20,21)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,18H,11-12H2,1-3H3
InChIKeyASWIFVYORYGRDD-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate

tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate (PubChem CID 3667575) has the molecular formula C17H21NO4S and a molecular weight of 335.42 g/mol. Its IUPAC name is tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
PubChem CID3667575
Molecular FormulaC17H21NO4S
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Nametert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO4S/c1-17(2,3)22-16(19)11-12-18-23(20,21)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,18H,11-12H2,1-3H3
InChIKeyASWIFVYORYGRDD-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
tert-butyl 2-[methyl(naphthalen-1-ylsulfonyl)amino]acetate
CID 3787664
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate
CID 21348248
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
tert-butyl 3-[[10-[[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]methyl]anthracen-9-yl]methylamino]propanoate
CID 22026217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate?
The IUPAC name of tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate (CID 3667575) is tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate?
The canonical SMILES for tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate is CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate?
The InChIKey is ASWIFVYORYGRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-17(2,3)22-16(19)11-12-18-23(20,21)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,18H,11-12H2,1-3H3.
What are the key properties of tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate?
tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate has a molecular weight of 335.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate is sourced from PubChem (CID 3667575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).