N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C10H15N3O3S — CID 47204629

IUPACN-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H15N3O3S/c1-7(5-11)6-13(4)17(14,15)10-8(2)12-16-9(10)3/h7H,6H2,1-4H3
InChIKeyZZVHMNWBCUOKDN-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.07
Rot. Bonds4

About N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 47204629) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID47204629
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H15N3O3S/c1-7(5-11)6-13(4)17(14,15)10-8(2)12-16-9(10)3/h7H,6H2,1-4H3
InChIKeyZZVHMNWBCUOKDN-UHFFFAOYSA-N
XLogP1.07
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46743491
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CID 2741503
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 47204629) is N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZZVHMNWBCUOKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(5-11)6-13(4)17(14,15)10-8(2)12-16-9(10)3/h7H,6H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 47204629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).