(R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide

C22H35NO2S — CID 25268635

IUPAC(R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide
SMILESCC(C)[C@H]1CCCC(=O)[C@@H]1[C@@H](CCc1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C22H35NO2S/c1-16(2)18-12-9-13-20(24)21(18)19(23-26(25)22(3,4)5)15-14-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,21,23H,9,12-15H2,1-5H3/t18-,19-,21+,26-/m1/s1
InChIKeySCIXPELJLLCHCY-MZJLILPGSA-N
MW377.59 g/mol
LogP4.68
Rot. Bonds7

About (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide (PubChem CID 25268635) has the molecular formula C22H35NO2S and a molecular weight of 377.59 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide
PubChem CID25268635
Molecular FormulaC22H35NO2S
Molecular Weight377.59 g/mol
Exact Mass377.24
IUPAC Name(R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide
SMILESCC(C)[C@H]1CCCC(=O)[C@@H]1[C@@H](CCc1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C22H35NO2S/c1-16(2)18-12-9-13-20(24)21(18)19(23-26(25)22(3,4)5)15-14-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,21,23H,9,12-15H2,1-5H3/t18-,19-,21+,26-/m1/s1
InChIKeySCIXPELJLLCHCY-MZJLILPGSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide (CID 25268635) is (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide is CC(C)[C@H]1CCCC(=O)[C@@H]1[C@@H](CCc1ccccc1)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide?
The InChIKey is SCIXPELJLLCHCY-MZJLILPGSA-N. The full InChI is InChI=1S/C22H35NO2S/c1-16(2)18-12-9-13-20(24)21(18)19(23-26(25)22(3,4)5)15-14-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,21,23H,9,12-15H2,1-5H3/t18-,19-,21+,26-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide has a molecular weight of 377.59 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-[(1S,6R)-2-oxo-6-propan-2-ylcyclohexyl]-3-phenylpropyl]propane-2-sulfinamide is sourced from PubChem (CID 25268635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).