N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine

C16H21ClN2S2 — CID 69157519

IUPACN-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(-c3ccc(Cl)s3)s2)CC1
InChIInChI=1S/C16H21ClN2S2/c1-3-19-10-8-12(9-11-19)18(2)16-7-5-14(21-16)13-4-6-15(17)20-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyQDSFHCXYKKBSFN-UHFFFAOYSA-N
MW340.95 g/mol
LogP5.05
Rot. Bonds4

About N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine

N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 69157519) has the molecular formula C16H21ClN2S2 and a molecular weight of 340.95 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID69157519
Molecular FormulaC16H21ClN2S2
Molecular Weight340.95 g/mol
Exact Mass340.08
IUPAC NameN-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(-c3ccc(Cl)s3)s2)CC1
InChIInChI=1S/C16H21ClN2S2/c1-3-19-10-8-12(9-11-19)18(2)16-7-5-14(21-16)13-4-6-15(17)20-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyQDSFHCXYKKBSFN-UHFFFAOYSA-N
XLogP5.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine (CID 69157519) is N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(-c3ccc(Cl)s3)s2)CC1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is QDSFHCXYKKBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S2/c1-3-19-10-8-12(9-11-19)18(2)16-7-5-14(21-16)13-4-6-15(17)20-13/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine?
N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 340.95 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 69157519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).