N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide

C8H14N2O3S — CID 6465435

IUPACN-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)on1
InChIInChI=1S/C8H14N2O3S/c1-3-4-5-14(11,12)10-8-6-7(2)13-9-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyVMFUVPODARSUJX-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.52
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide

N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide (PubChem CID 6465435) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide
PubChem CID6465435
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)on1
InChIInChI=1S/C8H14N2O3S/c1-3-4-5-14(11,12)10-8-6-7(2)13-9-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyVMFUVPODARSUJX-UHFFFAOYSA-N
XLogP1.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370271
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
N-(4-methyl-2-pyridinyl)butane-1-sulfonamide
CID 19683113
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
CID 110673859
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 110345150
2,3,4,5,6-pentamethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 8519153
N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756
2-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345062

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide (CID 6465435) is N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide?
The InChIKey is VMFUVPODARSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-4-5-14(11,12)10-8-6-7(2)13-9-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 6465435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).