4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde

C13H25NO3S — CID 79858374

IUPAC4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(C=O)(CN(C)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H25NO3S/c1-12-4-6-13(11-15,7-5-12)10-14(2)8-9-18(3,16)17/h11-12H,4-10H2,1-3H3
InChIKeyNZHYWBJEFYIRMF-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds6

About 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde

4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 79858374) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID79858374
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCC1CCC(C=O)(CN(C)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H25NO3S/c1-12-4-6-13(11-15,7-5-12)10-14(2)8-9-18(3,16)17/h11-12H,4-10H2,1-3H3
InChIKeyNZHYWBJEFYIRMF-UHFFFAOYSA-N
XLogP1.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 79843903
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
1-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 104554521
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 79850636
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
4-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62619918
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 112664517
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 79858374) is 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde is CC1CCC(C=O)(CN(C)CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is NZHYWBJEFYIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-12-4-6-13(11-15,7-5-12)10-14(2)8-9-18(3,16)17/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 275.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 79858374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).