(R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide

C21H31NO2S — CID 25268271

IUPAC(R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide
SMILESCC(C)[C@@H]1CCC(=O)[C@H]1[C@@H](/C=C/c1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C21H31NO2S/c1-15(2)17-12-14-19(23)20(17)18(22-25(24)21(3,4)5)13-11-16-9-7-6-8-10-16/h6-11,13,15,17-18,20,22H,12,14H2,1-5H3/b13-11+/t17-,18+,20+,25+/m0/s1
InChIKeyWJFCHEUQRWACSS-ZXWRBLPOSA-N
MW361.55 g/mol
LogP4.37
Rot. Bonds6

About (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide

(R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide (PubChem CID 25268271) has the molecular formula C21H31NO2S and a molecular weight of 361.55 g/mol. Its IUPAC name is (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide
PubChem CID25268271
Molecular FormulaC21H31NO2S
Molecular Weight361.55 g/mol
Exact Mass361.21
IUPAC Name(R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide
SMILESCC(C)[C@@H]1CCC(=O)[C@H]1[C@@H](/C=C/c1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C21H31NO2S/c1-15(2)17-12-14-19(23)20(17)18(22-25(24)21(3,4)5)13-11-16-9-7-6-8-10-16/h6-11,13,15,17-18,20,22H,12,14H2,1-5H3/b13-11+/t17-,18+,20+,25+/m0/s1
InChIKeyWJFCHEUQRWACSS-ZXWRBLPOSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.55
LogP ≤ 54.37
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-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide (CID 25268271) is (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide is CC(C)[C@@H]1CCC(=O)[C@H]1[C@@H](/C=C/c1ccccc1)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide?
The InChIKey is WJFCHEUQRWACSS-ZXWRBLPOSA-N. The full InChI is InChI=1S/C21H31NO2S/c1-15(2)17-12-14-19(23)20(17)18(22-25(24)21(3,4)5)13-11-16-9-7-6-8-10-16/h6-11,13,15,17-18,20,22H,12,14H2,1-5H3/b13-11+/t17-,18+,20+,25+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide has a molecular weight of 361.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(E,1R)-1-[(1R,5S)-2-oxo-5-propan-2-ylcyclopentyl]-3-phenylprop-2-enyl]propane-2-sulfinamide is sourced from PubChem (CID 25268271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).