(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide

C14H24N2O2S — CID 156777027

IUPAC(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
SMILESCC(C)Oc1ccc([C@H](C)N[S@@](=O)C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O2S/c1-10(2)18-13-8-7-12(9-15-13)11(3)16-19(17)14(4,5)6/h7-11,16H,1-6H3/t11-,19-/m0/s1
InChIKeyFRDHSPOQCMFKID-WLRWDXFRSA-N
MW284.43 g/mol
LogP2.98
Rot. Bonds5

About (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide (PubChem CID 156777027) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
PubChem CID156777027
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
SMILESCC(C)Oc1ccc([C@H](C)N[S@@](=O)C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O2S/c1-10(2)18-13-8-7-12(9-15-13)11(3)16-19(17)14(4,5)6/h7-11,16H,1-6H3/t11-,19-/m0/s1
InChIKeyFRDHSPOQCMFKID-WLRWDXFRSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide (CID 156777027) is (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide is CC(C)Oc1ccc([C@H](C)N[S@@](=O)C(C)(C)C)cn1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide?
The InChIKey is FRDHSPOQCMFKID-WLRWDXFRSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)18-13-8-7-12(9-15-13)11(3)16-19(17)14(4,5)6/h7-11,16H,1-6H3/t11-,19-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide has a molecular weight of 284.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 156777027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).