N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine

C16H21ClN2S2 — CID 114503172

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C16H21ClN2S2/c1-11-10-19(2)8-7-12(11)18-16(13-4-3-9-20-13)14-5-6-15(17)21-14/h3-6,9,11-12,16,18H,7-8,10H2,1-2H3
InChIKeyTZPOSLYSTZCDPT-UHFFFAOYSA-N
MW340.95 g/mol
LogP4.48
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 114503172) has the molecular formula C16H21ClN2S2 and a molecular weight of 340.95 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID114503172
Molecular FormulaC16H21ClN2S2
Molecular Weight340.95 g/mol
Exact Mass340.08
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C16H21ClN2S2/c1-11-10-19(2)8-7-12(11)18-16(13-4-3-9-20-13)14-5-6-15(17)21-14/h3-6,9,11-12,16,18H,7-8,10H2,1-2H3
InChIKeyTZPOSLYSTZCDPT-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine (CID 114503172) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is TZPOSLYSTZCDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S2/c1-11-10-19(2)8-7-12(11)18-16(13-4-3-9-20-13)14-5-6-15(17)21-14/h3-6,9,11-12,16,18H,7-8,10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 340.95 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114503172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).