(S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide

C13H26N2O2S — CID 135389010

IUPAC(S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESC[C@@H]1OCC2(CCNCC2)[C@@H]1N[S@@](=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2S/c1-10-11(15-18(16)12(2,3)4)13(9-17-10)5-7-14-8-6-13/h10-11,14-15H,5-9H2,1-4H3/t10-,11+,18-/m0/s1
InChIKeyHFRUPBVESRLIES-PISHQANHSA-N
MW274.43 g/mol
LogP1.20
Rot. Bonds2

About (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (PubChem CID 135389010) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
PubChem CID135389010
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name(S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
SMILESC[C@@H]1OCC2(CCNCC2)[C@@H]1N[S@@](=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2S/c1-10-11(15-18(16)12(2,3)4)13(9-17-10)5-7-14-8-6-13/h10-11,14-15H,5-9H2,1-4H3/t10-,11+,18-/m0/s1
InChIKeyHFRUPBVESRLIES-PISHQANHSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide (CID 135389010) is (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is C[C@@H]1OCC2(CCNCC2)[C@@H]1N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
The InChIKey is HFRUPBVESRLIES-PISHQANHSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10-11(15-18(16)12(2,3)4)13(9-17-10)5-7-14-8-6-13/h10-11,14-15H,5-9H2,1-4H3/t10-,11+,18-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide has a molecular weight of 274.43 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 135389010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).