N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine

C13H26N2S — CID 62558862

IUPACN-(2-thiomorpholin-4-ylpropyl)cyclohexanamine
SMILESCC(CNC1CCCCC1)N1CCSCC1
InChIInChI=1S/C13H26N2S/c1-12(15-7-9-16-10-8-15)11-14-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyYSTRJMFWMAITFN-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds4

About N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine

N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine (PubChem CID 62558862) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylpropyl)cyclohexanamine
PubChem CID62558862
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(2-thiomorpholin-4-ylpropyl)cyclohexanamine
SMILESCC(CNC1CCCCC1)N1CCSCC1
InChIInChI=1S/C13H26N2S/c1-12(15-7-9-16-10-8-15)11-14-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyYSTRJMFWMAITFN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine?
The IUPAC name of N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine (CID 62558862) is N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine?
The canonical SMILES for N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine is CC(CNC1CCCCC1)N1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine?
The InChIKey is YSTRJMFWMAITFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12(15-7-9-16-10-8-15)11-14-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine?
N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylpropyl)cyclohexanamine is sourced from PubChem (CID 62558862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).