N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine

C11H23N3S — CID 83010917

IUPACN-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
SMILESCC1CC(CN)(NN2CCCCC2)CS1
InChIInChI=1S/C11H23N3S/c1-10-7-11(8-12,9-15-10)13-14-5-3-2-4-6-14/h10,13H,2-9,12H2,1H3
InChIKeyTYSPPPWNYTWMSL-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.20
Rot. Bonds3

About N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine

N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine (PubChem CID 83010917) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
PubChem CID83010917
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC NameN-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
SMILESCC1CC(CN)(NN2CCCCC2)CS1
InChIInChI=1S/C11H23N3S/c1-10-7-11(8-12,9-15-10)13-14-5-3-2-4-6-14/h10,13H,2-9,12H2,1H3
InChIKeyTYSPPPWNYTWMSL-UHFFFAOYSA-N
XLogP1.20
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine?
The IUPAC name of N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine (CID 83010917) is N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine.
What is the SMILES notation for N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine?
The canonical SMILES for N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine is CC1CC(CN)(NN2CCCCC2)CS1.
What is the InChIKey of N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine?
The InChIKey is TYSPPPWNYTWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-10-7-11(8-12,9-15-10)13-14-5-3-2-4-6-14/h10,13H,2-9,12H2,1H3.
What are the key properties of N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine?
N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine has a molecular weight of 229.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine is sourced from PubChem (CID 83010917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).