N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C10H19N3O5S2 — CID 110636148

IUPACN-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCS(=O)(=O)NCCN(C)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H19N3O5S2/c1-5-19(14,15)11-6-7-13(4)20(16,17)10-8(2)12-18-9(10)3/h11H,5-7H2,1-4H3
InChIKeyYRODFQUFTJHMAA-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.15
Rot. Bonds7

About N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110636148) has the molecular formula C10H19N3O5S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110636148
Molecular FormulaC10H19N3O5S2
Molecular Weight325.41 g/mol
Exact Mass325.08
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCS(=O)(=O)NCCN(C)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H19N3O5S2/c1-5-19(14,15)11-6-7-13(4)20(16,17)10-8(2)12-18-9(10)3/h11H,5-7H2,1-4H3
InChIKeyYRODFQUFTJHMAA-UHFFFAOYSA-N
XLogP-0.15
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 170621891
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N-(1-bromopropan-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
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N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
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2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
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N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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CID 94872741
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
N-(2-bromoethyl)-3,5-dimethyl-N-pentan-3-yl-1,2-oxazole-4-sulfonamide
CID 80673823
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 110636148) is N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is CCS(=O)(=O)NCCN(C)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YRODFQUFTJHMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S2/c1-5-19(14,15)11-6-7-13(4)20(16,17)10-8(2)12-18-9(10)3/h11H,5-7H2,1-4H3.
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110636148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).