1-(thian-3-yl)piperidin-4-amine

C10H20N2S — CID 62873303

IUPAC1-(thian-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCCSC2)CC1
InChIInChI=1S/C10H20N2S/c11-9-3-5-12(6-4-9)10-2-1-7-13-8-10/h9-10H,1-8,11H2
InChIKeyXVKPKNHQOIHTNJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds1

About 1-(thian-3-yl)piperidin-4-amine

1-(thian-3-yl)piperidin-4-amine (PubChem CID 62873303) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(thian-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(thian-3-yl)piperidin-4-amine
PubChem CID62873303
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-(thian-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCCSC2)CC1
InChIInChI=1S/C10H20N2S/c11-9-3-5-12(6-4-9)10-2-1-7-13-8-10/h9-10H,1-8,11H2
InChIKeyXVKPKNHQOIHTNJ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-3-yl)piperidin-4-amine?
The IUPAC name of 1-(thian-3-yl)piperidin-4-amine (CID 62873303) is 1-(thian-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(thian-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(thian-3-yl)piperidin-4-amine is NC1CCN(C2CCCSC2)CC1.
What is the InChIKey of 1-(thian-3-yl)piperidin-4-amine?
The InChIKey is XVKPKNHQOIHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-9-3-5-12(6-4-9)10-2-1-7-13-8-10/h9-10H,1-8,11H2.
What are the key properties of 1-(thian-3-yl)piperidin-4-amine?
1-(thian-3-yl)piperidin-4-amine has a molecular weight of 200.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-3-yl)piperidin-4-amine is sourced from PubChem (CID 62873303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).