4-methyl-N-(thiolan-3-yl)piperazin-1-amine

C9H19N3S — CID 83010396

IUPAC4-methyl-N-(thiolan-3-yl)piperazin-1-amine
SMILESCN1CCN(NC2CCSC2)CC1
InChIInChI=1S/C9H19N3S/c1-11-3-5-12(6-4-11)10-9-2-7-13-8-9/h9-10H,2-8H2,1H3
InChIKeyALBZABSXADOZJZ-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.24
Rot. Bonds2

About 4-methyl-N-(thiolan-3-yl)piperazin-1-amine

4-methyl-N-(thiolan-3-yl)piperazin-1-amine (PubChem CID 83010396) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 4-methyl-N-(thiolan-3-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(thiolan-3-yl)piperazin-1-amine
PubChem CID83010396
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name4-methyl-N-(thiolan-3-yl)piperazin-1-amine
SMILESCN1CCN(NC2CCSC2)CC1
InChIInChI=1S/C9H19N3S/c1-11-3-5-12(6-4-11)10-9-2-7-13-8-9/h9-10H,2-8H2,1H3
InChIKeyALBZABSXADOZJZ-UHFFFAOYSA-N
XLogP0.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiolan-3-yl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(thiolan-3-yl)piperazin-1-amine (CID 83010396) is 4-methyl-N-(thiolan-3-yl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(thiolan-3-yl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(thiolan-3-yl)piperazin-1-amine is CN1CCN(NC2CCSC2)CC1.
What is the InChIKey of 4-methyl-N-(thiolan-3-yl)piperazin-1-amine?
The InChIKey is ALBZABSXADOZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-11-3-5-12(6-4-11)10-9-2-7-13-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 4-methyl-N-(thiolan-3-yl)piperazin-1-amine?
4-methyl-N-(thiolan-3-yl)piperazin-1-amine has a molecular weight of 201.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiolan-3-yl)piperazin-1-amine is sourced from PubChem (CID 83010396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).