[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone

C13H24N2OS — CID 79526543

IUPAC[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H24N2OS/c1-10-9-17-7-6-15(10)13(16)12-4-2-11(8-14)3-5-12/h10-12H,2-9,14H2,1H3
InChIKeyJIQFJNKGHUMRKQ-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.72
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone

[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 79526543) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone
PubChem CID79526543
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H24N2OS/c1-10-9-17-7-6-15(10)13(16)12-4-2-11(8-14)3-5-12/h10-12H,2-9,14H2,1H3
InChIKeyJIQFJNKGHUMRKQ-UHFFFAOYSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742867
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
2-[4-(3-aminocyclopentanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66445748
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone
CID 113310838
N-ethoxy-3-methylthiomorpholine-4-carboxamide
CID 130629111
(1S,6R)-6-(3-methylthiomorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 104962462
2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone (CID 79526543) is [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone is CC1CSCCN1C(=O)C1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is JIQFJNKGHUMRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-9-17-7-6-15(10)13(16)12-4-2-11(8-14)3-5-12/h10-12H,2-9,14H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 256.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 79526543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).