(3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine

C11H22N2OS — CID 28672189

IUPAC(3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine
SMILESC(CN[C@H]1CCSC1)CN1CCOCC1
InChIInChI=1S/C11H22N2OS/c1(3-12-11-2-9-15-10-11)4-13-5-7-14-8-6-13/h11-12H,1-10H2/t11-/m0/s1
InChIKeyOQBWIXHOBTUDHQ-NSHDSACASA-N
MW230.38 g/mol
LogP0.80
Rot. Bonds5

About (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine

(3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine (PubChem CID 28672189) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine
PubChem CID28672189
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine
SMILESC(CN[C@H]1CCSC1)CN1CCOCC1
InChIInChI=1S/C11H22N2OS/c1(3-12-11-2-9-15-10-11)4-13-5-7-14-8-6-13/h11-12H,1-10H2/t11-/m0/s1
InChIKeyOQBWIXHOBTUDHQ-NSHDSACASA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.80
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 (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine?
The IUPAC name of (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine (CID 28672189) is (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine is C(CN[C@H]1CCSC1)CN1CCOCC1.
What is the InChIKey of (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine?
The InChIKey is OQBWIXHOBTUDHQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2OS/c1(3-12-11-2-9-15-10-11)4-13-5-7-14-8-6-13/h11-12H,1-10H2/t11-/m0/s1.
What are the key properties of (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine?
(3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine has a molecular weight of 230.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-morpholin-4-ylpropyl)thiolan-3-amine is sourced from PubChem (CID 28672189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).