N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide

C17H25NOS — CID 171097769

IUPACN-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(C(=NS(=O)C(C)(C)C)C2CCCC2)c1
InChIInChI=1S/C17H25NOS/c1-13-8-7-11-15(12-13)16(14-9-5-6-10-14)18-20(19)17(2,3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyRCSOUMNUUJOFTM-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.44
Rot. Bonds3

About N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 171097769) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID171097769
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(C(=NS(=O)C(C)(C)C)C2CCCC2)c1
InChIInChI=1S/C17H25NOS/c1-13-8-7-11-15(12-13)16(14-9-5-6-10-14)18-20(19)17(2,3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyRCSOUMNUUJOFTM-UHFFFAOYSA-N
XLogP4.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 171097769) is N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide is Cc1cccc(C(=NS(=O)C(C)(C)C)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RCSOUMNUUJOFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-13-8-7-11-15(12-13)16(14-9-5-6-10-14)18-20(19)17(2,3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 291.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171097769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).