ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate

C14H22N2O4S — CID 61499264

IUPACethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cccc(C(N)CC)c1
InChIInChI=1S/C14H22N2O4S/c1-4-13(15)11-7-6-8-12(9-11)21(18,19)16-10(3)14(17)20-5-2/h6-10,13,16H,4-5,15H2,1-3H3
InChIKeyURNPCHUHZJYZHX-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.33
Rot. Bonds7

About ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate

ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate (PubChem CID 61499264) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
PubChem CID61499264
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nameethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cccc(C(N)CC)c1
InChIInChI=1S/C14H22N2O4S/c1-4-13(15)11-7-6-8-12(9-11)21(18,19)16-10(3)14(17)20-5-2/h6-10,13,16H,4-5,15H2,1-3H3
InChIKeyURNPCHUHZJYZHX-UHFFFAOYSA-N
XLogP1.33
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
ethyl 2-[(3-amino-4-fluorophenyl)sulfonylamino]propanoate
CID 61498116
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
ethyl 2-[(4-cyano-3-methylphenyl)sulfonylamino]propanoate
CID 106833128
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
ethyl 2-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 61499300
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate?
The IUPAC name of ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate (CID 61499264) is ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate.
What is the SMILES notation for ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate?
The canonical SMILES for ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate is CCOC(=O)C(C)NS(=O)(=O)c1cccc(C(N)CC)c1.
What is the InChIKey of ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate?
The InChIKey is URNPCHUHZJYZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-13(15)11-7-6-8-12(9-11)21(18,19)16-10(3)14(17)20-5-2/h6-10,13,16H,4-5,15H2,1-3H3.
What are the key properties of ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate?
ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate has a molecular weight of 314.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 61499264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).