N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide

C17H22N2OS2 — CID 51715678

IUPACN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)c2cccs2)c2cccs2)CC1
InChIInChI=1S/C17H22N2OS2/c1-13-6-8-19(9-7-13)14(15-4-2-10-21-15)12-18-17(20)16-5-3-11-22-16/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyHUPNETLTZKOMDW-AWEZNQCLSA-N
MW334.51 g/mol
LogP4.01
Rot. Bonds5

About N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide

N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide (PubChem CID 51715678) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide
PubChem CID51715678
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESCC1CCN([C@@H](CNC(=O)c2cccs2)c2cccs2)CC1
InChIInChI=1S/C17H22N2OS2/c1-13-6-8-19(9-7-13)14(15-4-2-10-21-15)12-18-17(20)16-5-3-11-22-16/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyHUPNETLTZKOMDW-AWEZNQCLSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide (CID 51715678) is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide is CC1CCN([C@@H](CNC(=O)c2cccs2)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is HUPNETLTZKOMDW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-13-6-8-19(9-7-13)14(15-4-2-10-21-15)12-18-17(20)16-5-3-11-22-16/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51715678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).