(R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide

C10H17NO3S — CID 134955453

IUPAC(R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO)c1ccoc1
InChIInChI=1S/C10H17NO3S/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
InChIKeyRIMOQTLSTFVVME-BJOHPYRUSA-N
MW231.32 g/mol
LogP1.36
Rot. Bonds4

About (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134955453) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
PubChem CID134955453
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO)c1ccoc1
InChIInChI=1S/C10H17NO3S/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
InChIKeyRIMOQTLSTFVVME-BJOHPYRUSA-N
XLogP1.36
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide (CID 134955453) is (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CO)c1ccoc1.
What is the InChIKey of (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RIMOQTLSTFVVME-BJOHPYRUSA-N. The full InChI is InChI=1S/C10H17NO3S/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)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 231.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(furan-3-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134955453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).