N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine

C10H21N3OS — CID 107132849

IUPACN-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESNCC(NN1CCOCC1)C1CCSC1
InChIInChI=1S/C10H21N3OS/c11-7-10(9-1-6-15-8-9)12-13-2-4-14-5-3-13/h9-10,12H,1-8,11H2
InChIKeyVHUIRGHIORPQPN-UHFFFAOYSA-N
MW231.36 g/mol
LogP-0.10
Rot. Bonds4

About N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine

N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132849) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132849
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC NameN-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESNCC(NN1CCOCC1)C1CCSC1
InChIInChI=1S/C10H21N3OS/c11-7-10(9-1-6-15-8-9)12-13-2-4-14-5-3-13/h9-10,12H,1-8,11H2
InChIKeyVHUIRGHIORPQPN-UHFFFAOYSA-N
XLogP-0.10
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132849) is N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine is NCC(NN1CCOCC1)C1CCSC1.
What is the InChIKey of N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is VHUIRGHIORPQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c11-7-10(9-1-6-15-8-9)12-13-2-4-14-5-3-13/h9-10,12H,1-8,11H2.
What are the key properties of N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine?
N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 231.36 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).