3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine

C11H15FN2O2S — CID 75430542

IUPAC3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESCS(=O)(=O)CC1(CNc2ncccc2F)CC1
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)8-11(4-5-11)7-14-10-9(12)3-2-6-13-10/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyLYVQBIRKVMOPJP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.46
Rot. Bonds5

About 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine

3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine (PubChem CID 75430542) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
PubChem CID75430542
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESCS(=O)(=O)CC1(CNc2ncccc2F)CC1
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)8-11(4-5-11)7-14-10-9(12)3-2-6-13-10/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyLYVQBIRKVMOPJP-UHFFFAOYSA-N
XLogP1.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine 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 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine (CID 75430542) is 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine is CS(=O)(=O)CC1(CNc2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The InChIKey is LYVQBIRKVMOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-17(15,16)8-11(4-5-11)7-14-10-9(12)3-2-6-13-10/h2-3,6H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 75430542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).