N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C14H23ClN2S — CID 28675211

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2ccc(Cl)s2)CC(C)(C)N1
InChIInChI=1S/C14H23ClN2S/c1-13(2)7-10(8-14(3,4)17-13)16-9-11-5-6-12(15)18-11/h5-6,10,16-17H,7-9H2,1-4H3
InChIKeyUXRCKKBIABYLSR-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.80
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 28675211) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID28675211
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2ccc(Cl)s2)CC(C)(C)N1
InChIInChI=1S/C14H23ClN2S/c1-13(2)7-10(8-14(3,4)17-13)16-9-11-5-6-12(15)18-11/h5-6,10,16-17H,7-9H2,1-4H3
InChIKeyUXRCKKBIABYLSR-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 28675211) is N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2ccc(Cl)s2)CC(C)(C)N1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is UXRCKKBIABYLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-13(2)7-10(8-14(3,4)17-13)16-9-11-5-6-12(15)18-11/h5-6,10,16-17H,7-9H2,1-4H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 286.87 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 28675211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).