2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide

C12H24N2O2S — CID 139427242

IUPAC2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1CCOC12CCNCC2
InChIInChI=1S/C12H24N2O2S/c1-11(2,3)17(15)14-10-4-9-16-12(10)5-7-13-8-6-12/h10,13-14H,4-9H2,1-3H3/t10-,17?/m1/s1
InChIKeyAKMDLLXHFZIZJU-YQDUUYOCSA-N
MW260.40 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide

2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (PubChem CID 139427242) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
PubChem CID139427242
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1CCOC12CCNCC2
InChIInChI=1S/C12H24N2O2S/c1-11(2,3)17(15)14-10-4-9-16-12(10)5-7-13-8-6-12/h10,13-14H,4-9H2,1-3H3/t10-,17?/m1/s1
InChIKeyAKMDLLXHFZIZJU-YQDUUYOCSA-N
XLogP0.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (CID 139427242) is 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1CCOC12CCNCC2.
What is the InChIKey of 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The InChIKey is AKMDLLXHFZIZJU-YQDUUYOCSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(2,3)17(15)14-10-4-9-16-12(10)5-7-13-8-6-12/h10,13-14H,4-9H2,1-3H3/t10-,17?/m1/s1.
What are the key properties of 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide has a molecular weight of 260.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4R)-1-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 139427242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).