N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride

C10H22Cl2N2OS — CID 119031781

IUPACN-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride
SMILESC(CN1CCOCC1)NC1CCSC1.Cl.Cl
InChIInChI=1S/C10H20N2OS.2ClH/c1-8-14-9-10(1)11-2-3-12-4-6-13-7-5-12;;/h10-11H,1-9H2;2*1H
InChIKeyPDMNNLYWOPDQSA-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.26
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride

N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride (PubChem CID 119031781) has the molecular formula C10H22Cl2N2OS and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride
PubChem CID119031781
Molecular FormulaC10H22Cl2N2OS
Molecular Weight289.27 g/mol
Exact Mass288.08
IUPAC NameN-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride
SMILESC(CN1CCOCC1)NC1CCSC1.Cl.Cl
InChIInChI=1S/C10H20N2OS.2ClH/c1-8-14-9-10(1)11-2-3-12-4-6-13-7-5-12;;/h10-11H,1-9H2;2*1H
InChIKeyPDMNNLYWOPDQSA-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride (CID 119031781) is N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride is C(CN1CCOCC1)NC1CCSC1.Cl.Cl.
What is the InChIKey of N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride?
The InChIKey is PDMNNLYWOPDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.2ClH/c1-8-14-9-10(1)11-2-3-12-4-6-13-7-5-12;;/h10-11H,1-9H2;2*1H.
What are the key properties of N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride?
N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride has a molecular weight of 289.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)thiolan-3-amine;dihydrochloride is sourced from PubChem (CID 119031781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).