(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide

C10H17NO2S2 — CID 134967864

IUPAC(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO)c1ccsc1
InChIInChI=1S/C10H17NO2S2/c1-10(2,3)15(13)11-9(6-12)8-4-5-14-7-8/h4-5,7,9,11-12H,6H2,1-3H3/t9-,15+/m0/s1
InChIKeySCHLFBXGDCQFSG-BJOHPYRUSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds4

About (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134967864) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID134967864
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO)c1ccsc1
InChIInChI=1S/C10H17NO2S2/c1-10(2,3)15(13)11-9(6-12)8-4-5-14-7-8/h4-5,7,9,11-12H,6H2,1-3H3/t9-,15+/m0/s1
InChIKeySCHLFBXGDCQFSG-BJOHPYRUSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide (CID 134967864) is (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CO)c1ccsc1.
What is the InChIKey of (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SCHLFBXGDCQFSG-BJOHPYRUSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-10(2,3)15(13)11-9(6-12)8-4-5-14-7-8/h4-5,7,9,11-12H,6H2,1-3H3/t9-,15+/m0/s1.
What are the key properties of (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 247.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134967864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).