4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine

C13H26N2OS — CID 104530558

IUPAC4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C13H26N2OS/c1-16-13-4-2-12(3-5-13)14-6-7-15-8-10-17-11-9-15/h12-14H,2-11H2,1H3
InChIKeyDQTRUNHBVVLLAH-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.58
Rot. Bonds5

About 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine

4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine (PubChem CID 104530558) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
PubChem CID104530558
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C13H26N2OS/c1-16-13-4-2-12(3-5-13)14-6-7-15-8-10-17-11-9-15/h12-14H,2-11H2,1H3
InChIKeyDQTRUNHBVVLLAH-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 104530194
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
CID 106872015
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine (CID 104530558) is 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine is COC1CCC(NCCN2CCSCC2)CC1.
What is the InChIKey of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
The InChIKey is DQTRUNHBVVLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-16-13-4-2-12(3-5-13)14-6-7-15-8-10-17-11-9-15/h12-14H,2-11H2,1H3.
What are the key properties of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine?
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine has a molecular weight of 258.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 104530558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).