3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine

C9H20N2OS — CID 102697112

IUPAC3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine
SMILESCOC(C)CNC1(CN)CCSC1
InChIInChI=1S/C9H20N2OS/c1-8(12-2)5-11-9(6-10)3-4-13-7-9/h8,11H,3-7,10H2,1-2H3
InChIKeyFTFDUBXQWPRLTF-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.45
Rot. Bonds5

About 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine

3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine (PubChem CID 102697112) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine
PubChem CID102697112
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine
SMILESCOC(C)CNC1(CN)CCSC1
InChIInChI=1S/C9H20N2OS/c1-8(12-2)5-11-9(6-10)3-4-13-7-9/h8,11H,3-7,10H2,1-2H3
InChIKeyFTFDUBXQWPRLTF-UHFFFAOYSA-N
XLogP0.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine (CID 102697112) is 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine is COC(C)CNC1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine?
The InChIKey is FTFDUBXQWPRLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-8(12-2)5-11-9(6-10)3-4-13-7-9/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine?
3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine has a molecular weight of 204.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxypropyl)thiolan-3-amine is sourced from PubChem (CID 102697112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).