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

C12H18N2O2S — CID 91660926

IUPAC6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESCc1cccc(NCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-11(14-10)13-8-12(6-7-12)9-17(2,15)16/h3-5H,6-9H2,1-2H3,(H,13,14)
InChIKeyKFSJUDWBAIIUDP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.63
Rot. Bonds5

About 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine

6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine (PubChem CID 91660926) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
PubChem CID91660926
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
SMILESCc1cccc(NCC2(CS(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-11(14-10)13-8-12(6-7-12)9-17(2,15)16/h3-5H,6-9H2,1-2H3,(H,13,14)
InChIKeyKFSJUDWBAIIUDP-UHFFFAOYSA-N
XLogP1.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-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 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine (CID 91660926) is 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine is Cc1cccc(NCC2(CS(C)(=O)=O)CC2)n1.
What is the InChIKey of 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
The InChIKey is KFSJUDWBAIIUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-4-3-5-11(14-10)13-8-12(6-7-12)9-17(2,15)16/h3-5H,6-9H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine?
6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine has a molecular weight of 254.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine is sourced from PubChem (CID 91660926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).