1-(5-methylthiolan-3-yl)piperidin-4-amine

C10H20N2S — CID 79950607

IUPAC1-(5-methylthiolan-3-yl)piperidin-4-amine
SMILESCC1CC(N2CCC(N)CC2)CS1
InChIInChI=1S/C10H20N2S/c1-8-6-10(7-13-8)12-4-2-9(11)3-5-12/h8-10H,2-7,11H2,1H3
InChIKeyAMRSBHZFHQPOMV-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.30
Rot. Bonds1

About 1-(5-methylthiolan-3-yl)piperidin-4-amine

1-(5-methylthiolan-3-yl)piperidin-4-amine (PubChem CID 79950607) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(5-methylthiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-methylthiolan-3-yl)piperidin-4-amine
PubChem CID79950607
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-(5-methylthiolan-3-yl)piperidin-4-amine
SMILESCC1CC(N2CCC(N)CC2)CS1
InChIInChI=1S/C10H20N2S/c1-8-6-10(7-13-8)12-4-2-9(11)3-5-12/h8-10H,2-7,11H2,1H3
InChIKeyAMRSBHZFHQPOMV-UHFFFAOYSA-N
XLogP1.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-(5-methylthiolan-3-yl)piperidin-4-amine (CID 79950607) is 1-(5-methylthiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5-methylthiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(5-methylthiolan-3-yl)piperidin-4-amine is CC1CC(N2CCC(N)CC2)CS1.
What is the InChIKey of 1-(5-methylthiolan-3-yl)piperidin-4-amine?
The InChIKey is AMRSBHZFHQPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8-6-10(7-13-8)12-4-2-9(11)3-5-12/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-(5-methylthiolan-3-yl)piperidin-4-amine?
1-(5-methylthiolan-3-yl)piperidin-4-amine has a molecular weight of 200.35 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 79950607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).