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

C12H22N4O4S — CID 113157744

IUPACN-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCc1cc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C12H22N4O4S/c1-10-8-11(14-20-10)16(21(4,18)19)9-12(17)13-6-5-7-15(2)3/h8H,5-7,9H2,1-4H3,(H,13,17)
InChIKeyHOIUZSQKXSIKBE-UHFFFAOYSA-N
MW318.40 g/mol
LogP-0.18
Rot. Bonds8

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

N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113157744) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
PubChem CID113157744
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCc1cc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)no1
InChIInChI=1S/C12H22N4O4S/c1-10-8-11(14-20-10)16(21(4,18)19)9-12(17)13-6-5-7-15(2)3/h8H,5-7,9H2,1-4H3,(H,13,17)
InChIKeyHOIUZSQKXSIKBE-UHFFFAOYSA-N
XLogP-0.18
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.18
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]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157773
2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113157726
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157887
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
CID 113156119
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157845
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
CID 113072577
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
N-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157844

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (CID 113157744) is N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is Cc1cc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)no1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is HOIUZSQKXSIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-10-8-11(14-20-10)16(21(4,18)19)9-12(17)13-6-5-7-15(2)3/h8H,5-7,9H2,1-4H3,(H,13,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 318.40 g/mol, XLogP of -0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113157744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).