N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine

C12H26N2S — CID 62558856

IUPACN-(2-thiomorpholin-4-ylpropyl)pentan-1-amine
SMILESCCCCCNCC(C)N1CCSCC1
InChIInChI=1S/C12H26N2S/c1-3-4-5-6-13-11-12(2)14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyFSOFXXMAVFFUGN-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds7

About N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine

N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine (PubChem CID 62558856) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylpropyl)pentan-1-amine
PubChem CID62558856
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-(2-thiomorpholin-4-ylpropyl)pentan-1-amine
SMILESCCCCCNCC(C)N1CCSCC1
InChIInChI=1S/C12H26N2S/c1-3-4-5-6-13-11-12(2)14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyFSOFXXMAVFFUGN-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine (CID 62558856) is N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine is CCCCCNCC(C)N1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine?
The InChIKey is FSOFXXMAVFFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-4-5-6-13-11-12(2)14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine?
N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 7 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)pentan-1-amine is sourced from PubChem (CID 62558856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).