N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide

C12H25FN2OS — CID 144763415

IUPACN-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCC1CCC(N)(F)CC1
InChIInChI=1S/C12H25FN2OS/c1-11(2,3)17(16)15-9-6-10-4-7-12(13,14)8-5-10/h10,15H,4-9,14H2,1-3H3
InChIKeyWPERRTTYETWZTE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide

N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 144763415) has the molecular formula C12H25FN2OS and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID144763415
Molecular FormulaC12H25FN2OS
Molecular Weight264.41 g/mol
Exact Mass264.17
IUPAC NameN-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCC1CCC(N)(F)CC1
InChIInChI=1S/C12H25FN2OS/c1-11(2,3)17(16)15-9-6-10-4-7-12(13,14)8-5-10/h10,15H,4-9,14H2,1-3H3
InChIKeyWPERRTTYETWZTE-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide (CID 144763415) is N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCCC1CCC(N)(F)CC1.
What is the InChIKey of N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WPERRTTYETWZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2OS/c1-11(2,3)17(16)15-9-6-10-4-7-12(13,14)8-5-10/h10,15H,4-9,14H2,1-3H3.
What are the key properties of N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 264.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 144763415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).