1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine

C13H26N2S — CID 79948080

IUPAC1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine
SMILESCC1CN(C2CSCCC2(C)C)CCC1N
InChIInChI=1S/C13H26N2S/c1-10-8-15(6-4-11(10)14)12-9-16-7-5-13(12,2)3/h10-12H,4-9,14H2,1-3H3
InChIKeyUCRROPUAOCJGFO-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.19
Rot. Bonds1

About 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine

1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine (PubChem CID 79948080) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine
PubChem CID79948080
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine
SMILESCC1CN(C2CSCCC2(C)C)CCC1N
InChIInChI=1S/C13H26N2S/c1-10-8-15(6-4-11(10)14)12-9-16-7-5-13(12,2)3/h10-12H,4-9,14H2,1-3H3
InChIKeyUCRROPUAOCJGFO-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine (CID 79948080) is 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine is CC1CN(C2CSCCC2(C)C)CCC1N.
What is the InChIKey of 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine?
The InChIKey is UCRROPUAOCJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10-8-15(6-4-11(10)14)12-9-16-7-5-13(12,2)3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine?
1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine has a molecular weight of 242.43 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylthian-3-yl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 79948080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).