[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine

C15H30N2S — CID 63156835

IUPAC[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine
SMILESCCC1(CC)CCN(C2(CN)CCSCC2)CC1
InChIInChI=1S/C15H30N2S/c1-3-14(4-2)5-9-17(10-6-14)15(13-16)7-11-18-12-8-15/h3-13,16H2,1-2H3
InChIKeyCBDATJQNDMQYJE-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.11
Rot. Bonds4

About [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine

[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine (PubChem CID 63156835) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine
PubChem CID63156835
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine
SMILESCCC1(CC)CCN(C2(CN)CCSCC2)CC1
InChIInChI=1S/C15H30N2S/c1-3-14(4-2)5-9-17(10-6-14)15(13-16)7-11-18-12-8-15/h3-13,16H2,1-2H3
InChIKeyCBDATJQNDMQYJE-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine?
The IUPAC name of [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine (CID 63156835) is [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine?
The canonical SMILES for [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine is CCC1(CC)CCN(C2(CN)CCSCC2)CC1.
What is the InChIKey of [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine?
The InChIKey is CBDATJQNDMQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-14(4-2)5-9-17(10-6-14)15(13-16)7-11-18-12-8-15/h3-13,16H2,1-2H3.
What are the key properties of [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine?
[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine has a molecular weight of 270.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine is sourced from PubChem (CID 63156835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).