3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine

C14H28N2O2S2 — CID 66381850

IUPAC3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCSCC2S(C)(=O)=O)C(N)C1
InChIInChI=1S/C14H28N2O2S2/c1-10-6-11(2)12(13(15)7-10)8-16-4-5-19-9-14(16)20(3,17)18/h10-14H,4-9,15H2,1-3H3
InChIKeyCZGMOOSGJISVSI-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.42
Rot. Bonds3

About 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine

3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 66381850) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
PubChem CID66381850
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCSCC2S(C)(=O)=O)C(N)C1
InChIInChI=1S/C14H28N2O2S2/c1-10-6-11(2)12(13(15)7-10)8-16-4-5-19-9-14(16)20(3,17)18/h10-14H,4-9,15H2,1-3H3
InChIKeyCZGMOOSGJISVSI-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 66382103
4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
CID 79384352
2-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736445
3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 82917213
4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66383602
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
CID 131176317
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
CID 66382204
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734690
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine (CID 66381850) is 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCSCC2S(C)(=O)=O)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is CZGMOOSGJISVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-10-6-11(2)12(13(15)7-10)8-16-4-5-19-9-14(16)20(3,17)18/h10-14H,4-9,15H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 320.52 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66381850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).