1-methyl-N-(thian-4-yl)piperidin-4-amine

C11H22N2S — CID 43394899

IUPAC1-methyl-N-(thian-4-yl)piperidin-4-amine
SMILESCN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C11H22N2S/c1-13-6-2-10(3-7-13)12-11-4-8-14-9-5-11/h10-12H,2-9H2,1H3
InChIKeyIWQQMDMNXIGDLD-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.57
Rot. Bonds2

About 1-methyl-N-(thian-4-yl)piperidin-4-amine

1-methyl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 43394899) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-methyl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(thian-4-yl)piperidin-4-amine
PubChem CID43394899
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-methyl-N-(thian-4-yl)piperidin-4-amine
SMILESCN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C11H22N2S/c1-13-6-2-10(3-7-13)12-11-4-8-14-9-5-11/h10-12H,2-9H2,1H3
InChIKeyIWQQMDMNXIGDLD-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(thian-4-yl)piperidin-4-amine (CID 43394899) is 1-methyl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(thian-4-yl)piperidin-4-amine is CN1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-methyl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is IWQQMDMNXIGDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-13-6-2-10(3-7-13)12-11-4-8-14-9-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-methyl-N-(thian-4-yl)piperidin-4-amine?
1-methyl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 214.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 43394899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).