3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide

C13H21N3O4S — CID 129347651

IUPAC3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)NC[C@H]1CCOC2(CCC2)C1
InChIInChI=1S/C13H21N3O4S/c1-9-11(12(14)16-20-9)21(17,18)15-8-10-3-6-19-13(7-10)4-2-5-13/h10,15H,2-8H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyKJZLIHURDJCPPJ-JTQLQIEISA-N
MW315.40 g/mol
LogP1.19
Rot. Bonds4

About 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide

3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 129347651) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID129347651
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)NC[C@H]1CCOC2(CCC2)C1
InChIInChI=1S/C13H21N3O4S/c1-9-11(12(14)16-20-9)21(17,18)15-8-10-3-6-19-13(7-10)4-2-5-13/h10,15H,2-8H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyKJZLIHURDJCPPJ-JTQLQIEISA-N
XLogP1.19
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 129347651) is 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1onc(N)c1S(=O)(=O)NC[C@H]1CCOC2(CCC2)C1.
What is the InChIKey of 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KJZLIHURDJCPPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-11(12(14)16-20-9)21(17,18)15-8-10-3-6-19-13(7-10)4-2-5-13/h10,15H,2-8H2,1H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide?
3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 129347651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).