(4-methyl-4-methylsulfonylcyclohexyl)methanamine

C9H19NO2S — CID 21048974

IUPAC(4-methyl-4-methylsulfonylcyclohexyl)methanamine
SMILESCC1(S(C)(=O)=O)CCC(CN)CC1
InChIInChI=1S/C9H19NO2S/c1-9(13(2,11)12)5-3-8(7-10)4-6-9/h8H,3-7,10H2,1-2H3
InChIKeyZHYFGWUODIZXAK-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds2

About (4-methyl-4-methylsulfonylcyclohexyl)methanamine

(4-methyl-4-methylsulfonylcyclohexyl)methanamine (PubChem CID 21048974) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (4-methyl-4-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-4-methylsulfonylcyclohexyl)methanamine
PubChem CID21048974
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(4-methyl-4-methylsulfonylcyclohexyl)methanamine
SMILESCC1(S(C)(=O)=O)CCC(CN)CC1
InChIInChI=1S/C9H19NO2S/c1-9(13(2,11)12)5-3-8(7-10)4-6-9/h8H,3-7,10H2,1-2H3
InChIKeyZHYFGWUODIZXAK-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methyl-4-methylsulfonylcyclohexyl)methanamine 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 (4-methyl-4-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-4-methylsulfonylcyclohexyl)methanamine (CID 21048974) is (4-methyl-4-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-4-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-4-methylsulfonylcyclohexyl)methanamine is CC1(S(C)(=O)=O)CCC(CN)CC1.
What is the InChIKey of (4-methyl-4-methylsulfonylcyclohexyl)methanamine?
The InChIKey is ZHYFGWUODIZXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(13(2,11)12)5-3-8(7-10)4-6-9/h8H,3-7,10H2,1-2H3.
What are the key properties of (4-methyl-4-methylsulfonylcyclohexyl)methanamine?
(4-methyl-4-methylsulfonylcyclohexyl)methanamine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 21048974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).