4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine

C13H21N3O5S — CID 139002985

IUPAC4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1S(=O)(=O)N1CC(C)(C)OC2(CCOC2)C1
InChIInChI=1S/C13H21N3O5S/c1-9-10(11(14)15-20-9)22(17,18)16-6-12(2,3)21-13(7-16)4-5-19-8-13/h4-8H2,1-3H3,(H2,14,15)
InChIKeyHCUNNJUJNLTAPW-UHFFFAOYSA-N
MW331.39 g/mol
LogP0.52
Rot. Bonds2

About 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine

4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 139002985) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID139002985
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1S(=O)(=O)N1CC(C)(C)OC2(CCOC2)C1
InChIInChI=1S/C13H21N3O5S/c1-9-10(11(14)15-20-9)22(17,18)16-6-12(2,3)21-13(7-16)4-5-19-8-13/h4-8H2,1-3H3,(H2,14,15)
InChIKeyHCUNNJUJNLTAPW-UHFFFAOYSA-N
XLogP0.52
TPSA107.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine with MolForge

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Related Compounds

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4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
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4-[[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl]sulfonyl]-5-methyl-1,2-oxazol-3-amine
CID 128845773
3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine (CID 139002985) is 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine is Cc1onc(N)c1S(=O)(=O)N1CC(C)(C)OC2(CCOC2)C1.
What is the InChIKey of 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is HCUNNJUJNLTAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-9-10(11(14)15-20-9)22(17,18)16-6-12(2,3)21-13(7-16)4-5-19-8-13/h4-8H2,1-3H3,(H2,14,15).
What are the key properties of 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine?
4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 331.39 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 139002985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).