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

C12H24N2S — CID 62573834

IUPACN-(2-thiomorpholin-4-ylethyl)cyclohexanamine
SMILESC1CCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C12H24N2S/c1-2-4-12(5-3-1)13-6-7-14-8-10-15-11-9-14/h12-13H,1-11H2
InChIKeyXDOZLJPLYHEQNU-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.96
Rot. Bonds4

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

N-(2-thiomorpholin-4-ylethyl)cyclohexanamine (PubChem CID 62573834) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)cyclohexanamine
PubChem CID62573834
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(2-thiomorpholin-4-ylethyl)cyclohexanamine
SMILESC1CCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C12H24N2S/c1-2-4-12(5-3-1)13-6-7-14-8-10-15-11-9-14/h12-13H,1-11H2
InChIKeyXDOZLJPLYHEQNU-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)cyclohexanamine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)cyclohexanamine (CID 62573834) is N-(2-thiomorpholin-4-ylethyl)cyclohexanamine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)cyclohexanamine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)cyclohexanamine is C1CCC(NCCN2CCSCC2)CC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)cyclohexanamine?
The InChIKey is XDOZLJPLYHEQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-4-12(5-3-1)13-6-7-14-8-10-15-11-9-14/h12-13H,1-11H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)cyclohexanamine?
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine has a molecular weight of 228.40 g/mol, XLogP of 1.96, 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-ylethyl)cyclohexanamine is sourced from PubChem (CID 62573834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).