2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide

C10H19NOS — CID 118540668

IUPAC2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
SMILESCC1=CCC[C@H]1NS(=O)C(C)(C)C
InChIInChI=1S/C10H19NOS/c1-8-6-5-7-9(8)11-13(12)10(2,3)4/h6,9,11H,5,7H2,1-4H3/t9-,13?/m1/s1
InChIKeyMCNJGZDXASRAIO-CGCSKFHYSA-N
MW201.33 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide

2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide (PubChem CID 118540668) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
PubChem CID118540668
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
SMILESCC1=CCC[C@H]1NS(=O)C(C)(C)C
InChIInChI=1S/C10H19NOS/c1-8-6-5-7-9(8)11-13(12)10(2,3)4/h6,9,11H,5,7H2,1-4H3/t9-,13?/m1/s1
InChIKeyMCNJGZDXASRAIO-CGCSKFHYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide (CID 118540668) is 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide is CC1=CCC[C@H]1NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide?
The InChIKey is MCNJGZDXASRAIO-CGCSKFHYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-6-5-7-9(8)11-13(12)10(2,3)4/h6,9,11H,5,7H2,1-4H3/t9-,13?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide?
2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide has a molecular weight of 201.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 118540668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).