N-propyl-2-thiomorpholin-4-ylpropan-1-amine

C10H22N2S — CID 62419039

IUPACN-propyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCC(C)N1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-4-11-9-10(2)12-5-7-13-8-6-12/h10-11H,3-9H2,1-2H3
InChIKeyADVYVIJWELKTLD-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds5

About N-propyl-2-thiomorpholin-4-ylpropan-1-amine

N-propyl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419039) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-propyl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419039
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-propyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCC(C)N1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-4-11-9-10(2)12-5-7-13-8-6-12/h10-11H,3-9H2,1-2H3
InChIKeyADVYVIJWELKTLD-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
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-propyl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-propyl-2-thiomorpholin-4-ylpropan-1-amine (CID 62419039) is N-propyl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-propyl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-propyl-2-thiomorpholin-4-ylpropan-1-amine is CCCNCC(C)N1CCSCC1.
What is the InChIKey of N-propyl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is ADVYVIJWELKTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-4-11-9-10(2)12-5-7-13-8-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-propyl-2-thiomorpholin-4-ylpropan-1-amine?
N-propyl-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).