(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide

C18H21NO2S — CID 176891324

IUPAC(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H21NO2S/c1-12(19-22(20)18(2,3)4)13-9-10-17-15(11-13)14-7-5-6-8-16(14)21-17/h5-12,19H,1-4H3/t12-,22+/m1/s1
InChIKeySECYBSVQUOHOPT-IPQOISQHSA-N
MW315.44 g/mol
LogP4.70
Rot. Bonds3

About (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 176891324) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID176891324
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H21NO2S/c1-12(19-22(20)18(2,3)4)13-9-10-17-15(11-13)14-7-5-6-8-16(14)21-17/h5-12,19H,1-4H3/t12-,22+/m1/s1
InChIKeySECYBSVQUOHOPT-IPQOISQHSA-N
XLogP4.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide (CID 176891324) is (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@@](=O)C(C)(C)C)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SECYBSVQUOHOPT-IPQOISQHSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12(19-22(20)18(2,3)4)13-9-10-17-15(11-13)14-7-5-6-8-16(14)21-17/h5-12,19H,1-4H3/t12-,22+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 315.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176891324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).