N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide

C13H24N4O4S — CID 113147313

IUPACN-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
SMILESCc1cc(N(CCC(=O)NCCCN(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C13H24N4O4S/c1-11-10-12(15-21-11)17(22(4,19)20)9-6-13(18)14-7-5-8-16(2)3/h10H,5-9H2,1-4H3,(H,14,18)
InChIKeyZYJGIXNGVAMNOU-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.21
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide

N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide (PubChem CID 113147313) has the molecular formula C13H24N4O4S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
PubChem CID113147313
Molecular FormulaC13H24N4O4S
Molecular Weight332.43 g/mol
Exact Mass332.15
IUPAC NameN-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
SMILESCc1cc(N(CCC(=O)NCCCN(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C13H24N4O4S/c1-11-10-12(15-21-11)17(22(4,19)20)9-6-13(18)14-7-5-8-16(2)3/h10H,5-9H2,1-4H3,(H,14,18)
InChIKeyZYJGIXNGVAMNOU-UHFFFAOYSA-N
XLogP0.21
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147341
N-(5-chloro-2-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147399
N-(2-tert-butylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147391
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113147417
tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
CID 113072577

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide (CID 113147313) is N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide is Cc1cc(N(CCC(=O)NCCCN(C)C)S(C)(=O)=O)no1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The InChIKey is ZYJGIXNGVAMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4S/c1-11-10-12(15-21-11)17(22(4,19)20)9-6-13(18)14-7-5-8-16(2)3/h10H,5-9H2,1-4H3,(H,14,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide has a molecular weight of 332.43 g/mol, XLogP of 0.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide is sourced from PubChem (CID 113147313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).