1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate

C15H24N2O4S — CID 119038620

IUPAC1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate
SMILESCC(CNS(C)(=O)=O)OC(=O)CCc1cccc(N(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-12(11-16-22(4,19)20)21-15(18)9-8-13-6-5-7-14(10-13)17(2)3/h5-7,10,12,16H,8-9,11H2,1-4H3
InChIKeyJVACQNXNGYQAGN-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.17
Rot. Bonds8

About 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate

1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate (PubChem CID 119038620) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate.

Molecular Properties

Compound Name1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate
PubChem CID119038620
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate
SMILESCC(CNS(C)(=O)=O)OC(=O)CCc1cccc(N(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-12(11-16-22(4,19)20)21-15(18)9-8-13-6-5-7-14(10-13)17(2)3/h5-7,10,12,16H,8-9,11H2,1-4H3
InChIKeyJVACQNXNGYQAGN-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate?
The IUPAC name of 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate (CID 119038620) is 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate.
What is the SMILES notation for 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate?
The canonical SMILES for 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate is CC(CNS(C)(=O)=O)OC(=O)CCc1cccc(N(C)C)c1.
What is the InChIKey of 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate?
The InChIKey is JVACQNXNGYQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(11-16-22(4,19)20)21-15(18)9-8-13-6-5-7-14(10-13)17(2)3/h5-7,10,12,16H,8-9,11H2,1-4H3.
What are the key properties of 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate?
1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate has a molecular weight of 328.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate is sourced from PubChem (CID 119038620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).