N-ethyl-4-thiomorpholin-4-ylpentan-1-amine

C11H24N2S — CID 62417328

IUPACN-ethyl-4-thiomorpholin-4-ylpentan-1-amine
SMILESCCNCCCC(C)N1CCSCC1
InChIInChI=1S/C11H24N2S/c1-3-12-6-4-5-11(2)13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeyAFBSRFIRHZNTMJ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds6

About N-ethyl-4-thiomorpholin-4-ylpentan-1-amine

N-ethyl-4-thiomorpholin-4-ylpentan-1-amine (PubChem CID 62417328) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-ethyl-4-thiomorpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-thiomorpholin-4-ylpentan-1-amine
PubChem CID62417328
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-ethyl-4-thiomorpholin-4-ylpentan-1-amine
SMILESCCNCCCC(C)N1CCSCC1
InChIInChI=1S/C11H24N2S/c1-3-12-6-4-5-11(2)13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeyAFBSRFIRHZNTMJ-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
4-pentan-2-ylthiomorpholine
CID 127402640
N-propyl-3-(1,4-thiazepan-4-yl)butan-1-amine
CID 62412235
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
CID 63620156
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 62431627
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-1-amine
CID 63163529
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-thiomorpholin-4-ylpentan-1-amine?
The IUPAC name of N-ethyl-4-thiomorpholin-4-ylpentan-1-amine (CID 62417328) is N-ethyl-4-thiomorpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-4-thiomorpholin-4-ylpentan-1-amine?
The canonical SMILES for N-ethyl-4-thiomorpholin-4-ylpentan-1-amine is CCNCCCC(C)N1CCSCC1.
What is the InChIKey of N-ethyl-4-thiomorpholin-4-ylpentan-1-amine?
The InChIKey is AFBSRFIRHZNTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-12-6-4-5-11(2)13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-4-thiomorpholin-4-ylpentan-1-amine?
N-ethyl-4-thiomorpholin-4-ylpentan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-thiomorpholin-4-ylpentan-1-amine is sourced from PubChem (CID 62417328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).