N-(2-thiomorpholin-4-ylethyl)propan-1-amine

C9H20N2S — CID 61386576

IUPACN-(2-thiomorpholin-4-ylethyl)propan-1-amine
SMILESCCCNCCN1CCSCC1
InChIInChI=1S/C9H20N2S/c1-2-3-10-4-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3
InChIKeyOMCUAGSHWWZYDK-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)propan-1-amine

N-(2-thiomorpholin-4-ylethyl)propan-1-amine (PubChem CID 61386576) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)propan-1-amine
PubChem CID61386576
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN-(2-thiomorpholin-4-ylethyl)propan-1-amine
SMILESCCCNCCN1CCSCC1
InChIInChI=1S/C9H20N2S/c1-2-3-10-4-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3
InChIKeyOMCUAGSHWWZYDK-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
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-ylethyl)propan-1-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)propan-1-amine (CID 61386576) is N-(2-thiomorpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)propan-1-amine is CCCNCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The InChIKey is OMCUAGSHWWZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-3-10-4-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
N-(2-thiomorpholin-4-ylethyl)propan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 5 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)propan-1-amine is sourced from PubChem (CID 61386576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).