2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide

C11H21NOS — CID 70892547

IUPAC2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
SMILESCC1C=CC(NS(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H21NOS/c1-9-5-7-10(8-6-9)12-14(13)11(2,3)4/h5,7,9-10,12H,6,8H2,1-4H3
InChIKeyCVSKTPHHBWPFKU-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide

2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide (PubChem CID 70892547) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
PubChem CID70892547
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
SMILESCC1C=CC(NS(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H21NOS/c1-9-5-7-10(8-6-9)12-14(13)11(2,3)4/h5,7,9-10,12H,6,8H2,1-4H3
InChIKeyCVSKTPHHBWPFKU-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
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-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide (CID 70892547) is 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide is CC1C=CC(NS(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide?
The InChIKey is CVSKTPHHBWPFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-5-7-10(8-6-9)12-14(13)11(2,3)4/h5,7,9-10,12H,6,8H2,1-4H3.
What are the key properties of 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide?
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide is sourced from PubChem (CID 70892547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).