N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C18H28N4OS — CID 53139653

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1sc2cc(C(=O)NCCN(C)C)[nH]c2c1CN1CCCCC1
InChIInChI=1S/C18H28N4OS/c1-13-14(12-22-8-5-4-6-9-22)17-16(24-13)11-15(20-17)18(23)19-7-10-21(2)3/h11,20H,4-10,12H2,1-3H3,(H,19,23)
InChIKeyXWYYPDYWIAGSPU-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139653) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139653
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1sc2cc(C(=O)NCCN(C)C)[nH]c2c1CN1CCCCC1
InChIInChI=1S/C18H28N4OS/c1-13-14(12-22-8-5-4-6-9-22)17-16(24-13)11-15(20-17)18(23)19-7-10-21(2)3/h11,20H,4-10,12H2,1-3H3,(H,19,23)
InChIKeyXWYYPDYWIAGSPU-UHFFFAOYSA-N
XLogP2.82
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139653) is N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1sc2cc(C(=O)NCCN(C)C)[nH]c2c1CN1CCCCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XWYYPDYWIAGSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13-14(12-22-8-5-4-6-9-22)17-16(24-13)11-15(20-17)18(23)19-7-10-21(2)3/h11,20H,4-10,12H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-3-(piperidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).