N-(3-methylsulfanylpropyl)morpholin-4-amine

C8H18N2OS — CID 83009390

IUPACN-(3-methylsulfanylpropyl)morpholin-4-amine
SMILESCSCCCNN1CCOCC1
InChIInChI=1S/C8H18N2OS/c1-12-8-2-3-9-10-4-6-11-7-5-10/h9H,2-8H2,1H3
InChIKeyVVLKWLZXDJNGSD-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.58
Rot. Bonds5

About N-(3-methylsulfanylpropyl)morpholin-4-amine

N-(3-methylsulfanylpropyl)morpholin-4-amine (PubChem CID 83009390) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)morpholin-4-amine
PubChem CID83009390
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-(3-methylsulfanylpropyl)morpholin-4-amine
SMILESCSCCCNN1CCOCC1
InChIInChI=1S/C8H18N2OS/c1-12-8-2-3-9-10-4-6-11-7-5-10/h9H,2-8H2,1H3
InChIKeyVVLKWLZXDJNGSD-UHFFFAOYSA-N
XLogP0.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methylsulfanylpropyl)morpholin-4-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)morpholin-4-amine (CID 83009390) is N-(3-methylsulfanylpropyl)morpholin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)morpholin-4-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)morpholin-4-amine is CSCCCNN1CCOCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)morpholin-4-amine?
The InChIKey is VVLKWLZXDJNGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-12-8-2-3-9-10-4-6-11-7-5-10/h9H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)morpholin-4-amine?
N-(3-methylsulfanylpropyl)morpholin-4-amine has a molecular weight of 190.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)morpholin-4-amine is sourced from PubChem (CID 83009390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).