1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide

C10H19N3O3S — CID 55101025

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
SMILESCCCNCCNS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C10H19N3O3S/c1-3-4-11-5-6-12-17(14,15)8-10-7-9(2)16-13-10/h7,11-12H,3-6,8H2,1-2H3
InChIKeyRUXZDFHJEBSMQU-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.40
Rot. Bonds8

About 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide

1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide (PubChem CID 55101025) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
PubChem CID55101025
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
SMILESCCCNCCNS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C10H19N3O3S/c1-3-4-11-5-6-12-17(14,15)8-10-7-9(2)16-13-10/h7,11-12H,3-6,8H2,1-2H3
InChIKeyRUXZDFHJEBSMQU-UHFFFAOYSA-N
XLogP0.40
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 115633596
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
N-(3-hydroxy-4-methoxybutyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103875953
N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 114384148
N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 65193475
1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 54896768
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide (CID 55101025) is 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide is CCCNCCNS(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide?
The InChIKey is RUXZDFHJEBSMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-3-4-11-5-6-12-17(14,15)8-10-7-9(2)16-13-10/h7,11-12H,3-6,8H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 55101025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).