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

C12H24N2O2S — CID 118247975

IUPAC(R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1COCC12CCNCC2
InChIInChI=1S/C12H24N2O2S/c1-11(2,3)17(15)14-10-8-16-9-12(10)4-6-13-7-5-12/h10,13-14H,4-9H2,1-3H3/t10-,17-/m1/s1
InChIKeyGIZXFMKHWRQEGL-BMLIUANNSA-N
MW260.40 g/mol
LogP0.81
Rot. Bonds2

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

(R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (PubChem CID 118247975) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
PubChem CID118247975
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1COCC12CCNCC2
InChIInChI=1S/C12H24N2O2S/c1-11(2,3)17(15)14-10-8-16-9-12(10)4-6-13-7-5-12/h10,13-14H,4-9H2,1-3H3/t10-,17-/m1/s1
InChIKeyGIZXFMKHWRQEGL-BMLIUANNSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (CID 118247975) is (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1COCC12CCNCC2.
What is the InChIKey of (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The InChIKey is GIZXFMKHWRQEGL-BMLIUANNSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(2,3)17(15)14-10-8-16-9-12(10)4-6-13-7-5-12/h10,13-14H,4-9H2,1-3H3/t10-,17-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide has a molecular weight of 260.40 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 118247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).