N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine

C9H19N3OS — CID 83014409

IUPACN-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCSC1
InChIInChI=1S/C9H19N3OS/c10-7-9(1-6-14-8-9)11-12-2-4-13-5-3-12/h11H,1-8,10H2
InChIKeyJBCARNZIPMYIOA-UHFFFAOYSA-N
MW217.34 g/mol
LogP-0.34
Rot. Bonds3

About N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine

N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine (PubChem CID 83014409) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine
PubChem CID83014409
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine
SMILESNCC1(NN2CCOCC2)CCSC1
InChIInChI=1S/C9H19N3OS/c10-7-9(1-6-14-8-9)11-12-2-4-13-5-3-12/h11H,1-8,10H2
InChIKeyJBCARNZIPMYIOA-UHFFFAOYSA-N
XLogP-0.34
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine?
The IUPAC name of N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine (CID 83014409) is N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine is NCC1(NN2CCOCC2)CCSC1.
What is the InChIKey of N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine?
The InChIKey is JBCARNZIPMYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c10-7-9(1-6-14-8-9)11-12-2-4-13-5-3-12/h11H,1-8,10H2.
What are the key properties of N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine?
N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine has a molecular weight of 217.34 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)thiolan-3-yl]morpholin-4-amine is sourced from PubChem (CID 83014409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).