(R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide

C16H31NO2S — CID 25268990

IUPAC(R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide
SMILESCC(C)[C@H]1CCC(=O)[C@H]1[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C16H31NO2S/c1-10(2)12-8-9-13(18)14(12)15(11(3)4)17-20(19)16(5,6)7/h10-12,14-15,17H,8-9H2,1-7H3/t12-,14+,15-,20-/m1/s1
InChIKeySRGPIZVHFJKWDS-UTIMDCKPSA-N
MW301.50 g/mol
LogP3.31
Rot. Bonds5

About (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide (PubChem CID 25268990) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide
PubChem CID25268990
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name(R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide
SMILESCC(C)[C@H]1CCC(=O)[C@H]1[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C16H31NO2S/c1-10(2)12-8-9-13(18)14(12)15(11(3)4)17-20(19)16(5,6)7/h10-12,14-15,17H,8-9H2,1-7H3/t12-,14+,15-,20-/m1/s1
InChIKeySRGPIZVHFJKWDS-UTIMDCKPSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.31
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)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide (CID 25268990) is (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide is CC(C)[C@H]1CCC(=O)[C@H]1[C@H](N[S@](=O)C(C)(C)C)C(C)C.
What is the InChIKey of (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide?
The InChIKey is SRGPIZVHFJKWDS-UTIMDCKPSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-10(2)12-8-9-13(18)14(12)15(11(3)4)17-20(19)16(5,6)7/h10-12,14-15,17H,8-9H2,1-7H3/t12-,14+,15-,20-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide has a molecular weight of 301.50 g/mol, XLogP of 3.31, 5 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)-2-methyl-1-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]propyl]propane-2-sulfinamide is sourced from PubChem (CID 25268990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).