3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine

C11H23N3S — CID 129497706

IUPAC3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C11H23N3S/c12-3-1-4-13-5-7-14(8-6-13)11-2-9-15-10-11/h11H,1-10,12H2/t11-/m1/s1
InChIKeyNKSUBCUVAPVPOM-LLVKDONJSA-N
MW229.39 g/mol
LogP0.46
Rot. Bonds4

About 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine

3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine (PubChem CID 129497706) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine
PubChem CID129497706
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C11H23N3S/c12-3-1-4-13-5-7-14(8-6-13)11-2-9-15-10-11/h11H,1-10,12H2/t11-/m1/s1
InChIKeyNKSUBCUVAPVPOM-LLVKDONJSA-N
XLogP0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine (CID 129497706) is 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine is NCCCN1CCN([C@@H]2CCSC2)CC1.
What is the InChIKey of 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine?
The InChIKey is NKSUBCUVAPVPOM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23N3S/c12-3-1-4-13-5-7-14(8-6-13)11-2-9-15-10-11/h11H,1-10,12H2/t11-/m1/s1.
What are the key properties of 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine?
3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 129497706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).