4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine

C15H30N2O2S2 — CID 66383602

IUPAC4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCSCC2S(C)(=O)=O)C1
InChIInChI=1S/C15H30N2O2S2/c1-4-12-5-6-14(16-2)13(9-12)10-17-7-8-20-11-15(17)21(3,18)19/h12-16H,4-11H2,1-3H3
InChIKeyQDCYVGFQQQOZQS-UHFFFAOYSA-N
MW334.55 g/mol
LogP1.82
Rot. Bonds5

About 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine

4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 66383602) has the molecular formula C15H30N2O2S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
PubChem CID66383602
Molecular FormulaC15H30N2O2S2
Molecular Weight334.55 g/mol
Exact Mass334.17
IUPAC Name4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NC)C(CN2CCSCC2S(C)(=O)=O)C1
InChIInChI=1S/C15H30N2O2S2/c1-4-12-5-6-14(16-2)13(9-12)10-17-7-8-20-11-15(17)21(3,18)19/h12-16H,4-11H2,1-3H3
InChIKeyQDCYVGFQQQOZQS-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine 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

4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
CID 79384352
4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610320
3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 66382103
3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66381850
4-ethyl-N-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 62611015
3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 82917213
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988
4-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 83222012
5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66053891
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine (CID 66383602) is 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine is CCC1CCC(NC)C(CN2CCSCC2S(C)(=O)=O)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is QDCYVGFQQQOZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S2/c1-4-12-5-6-14(16-2)13(9-12)10-17-7-8-20-11-15(17)21(3,18)19/h12-16H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 334.55 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66383602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).