N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine

C11H23N3O2S — CID 83011946

IUPACN-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
SMILESNCC1(NN2CCCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H23N3O2S/c12-9-11(5-4-8-17(15,16)10-11)13-14-6-2-1-3-7-14/h13H,1-10,12H2
InChIKeyCBDNCKXXWZEIBN-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.12
Rot. Bonds3

About N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine

N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine (PubChem CID 83011946) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
PubChem CID83011946
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
SMILESNCC1(NN2CCCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H23N3O2S/c12-9-11(5-4-8-17(15,16)10-11)13-14-6-2-1-3-7-14/h13H,1-10,12H2
InChIKeyCBDNCKXXWZEIBN-UHFFFAOYSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
The IUPAC name of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine (CID 83011946) is N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine.
What is the SMILES notation for N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
The canonical SMILES for N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine is NCC1(NN2CCCCC2)CCCS(=O)(=O)C1.
What is the InChIKey of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
The InChIKey is CBDNCKXXWZEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-9-11(5-4-8-17(15,16)10-11)13-14-6-2-1-3-7-14/h13H,1-10,12H2.
What are the key properties of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine has a molecular weight of 261.39 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine is sourced from PubChem (CID 83011946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).