N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H15N3O3S — CID 62645833

IUPACN-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCC(CC#N)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H15N3O3S/c1-4-9(5-6-11)13-17(14,15)10-7(2)12-16-8(10)3/h9,13H,4-5H2,1-3H3
InChIKeyMCICHPJSBVKTLF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.26
Rot. Bonds5

About N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 62645833) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID62645833
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCC(CC#N)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H15N3O3S/c1-4-9(5-6-11)13-17(14,15)10-7(2)12-16-8(10)3/h9,13H,4-5H2,1-3H3
InChIKeyMCICHPJSBVKTLF-UHFFFAOYSA-N
XLogP1.26
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5005523
N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993044
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-but-3-yn-2-yl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114419106
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
CID 97311830
N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114211604
3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 100766932
3,5-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 133231102
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100730820
3,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 103885361
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 62645833) is N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCC(CC#N)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MCICHPJSBVKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-9(5-6-11)13-17(14,15)10-7(2)12-16-8(10)3/h9,13H,4-5H2,1-3H3.
What are the key properties of N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 62645833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).