3-(aminomethyl)-N-propylthian-3-amine

C9H20N2S — CID 62872570

IUPAC3-(aminomethyl)-N-propylthian-3-amine
SMILESCCCNC1(CN)CCCSC1
InChIInChI=1S/C9H20N2S/c1-2-5-11-9(7-10)4-3-6-12-8-9/h11H,2-8,10H2,1H3
InChIKeyWDYBFZAUYQAAOH-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.21
Rot. Bonds4

About 3-(aminomethyl)-N-propylthian-3-amine

3-(aminomethyl)-N-propylthian-3-amine (PubChem CID 62872570) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-propylthian-3-amine
PubChem CID62872570
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-(aminomethyl)-N-propylthian-3-amine
SMILESCCCNC1(CN)CCCSC1
InChIInChI=1S/C9H20N2S/c1-2-5-11-9(7-10)4-3-6-12-8-9/h11H,2-8,10H2,1H3
InChIKeyWDYBFZAUYQAAOH-UHFFFAOYSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-propylthian-3-amine (CID 62872570) is 3-(aminomethyl)-N-propylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-propylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-propylthian-3-amine is CCCNC1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-propylthian-3-amine?
The InChIKey is WDYBFZAUYQAAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-5-11-9(7-10)4-3-6-12-8-9/h11H,2-8,10H2,1H3.
What are the key properties of 3-(aminomethyl)-N-propylthian-3-amine?
3-(aminomethyl)-N-propylthian-3-amine has a molecular weight of 188.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propylthian-3-amine is sourced from PubChem (CID 62872570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).