2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine

C11H22N2S — CID 83009552

IUPAC2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine
SMILESCC1CCCC(C)N1NC1CCSC1
InChIInChI=1S/C11H22N2S/c1-9-4-3-5-10(2)13(9)12-11-6-7-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyINFJFNSLRVVGNO-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.26
Rot. Bonds2

About 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine

2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine (PubChem CID 83009552) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine
PubChem CID83009552
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine
SMILESCC1CCCC(C)N1NC1CCSC1
InChIInChI=1S/C11H22N2S/c1-9-4-3-5-10(2)13(9)12-11-6-7-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyINFJFNSLRVVGNO-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine (CID 83009552) is 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine is CC1CCCC(C)N1NC1CCSC1.
What is the InChIKey of 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine?
The InChIKey is INFJFNSLRVVGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-4-3-5-10(2)13(9)12-11-6-7-14-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine?
2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine has a molecular weight of 214.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(thiolan-3-yl)piperidin-1-amine is sourced from PubChem (CID 83009552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).