(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone

C11H14ClN3OS — CID 70931368

IUPAC(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
SMILESO=C(C1Cc2cc(Cl)sc2N1)N1CCNCC1
InChIInChI=1S/C11H14ClN3OS/c12-9-6-7-5-8(14-10(7)17-9)11(16)15-3-1-13-2-4-15/h6,8,13-14H,1-5H2
InChIKeyDDOJWSAKZJRFSQ-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.17
Rot. Bonds1

About (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone

(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone (PubChem CID 70931368) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
PubChem CID70931368
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
SMILESO=C(C1Cc2cc(Cl)sc2N1)N1CCNCC1
InChIInChI=1S/C11H14ClN3OS/c12-9-6-7-5-8(14-10(7)17-9)11(16)15-3-1-13-2-4-15/h6,8,13-14H,1-5H2
InChIKeyDDOJWSAKZJRFSQ-UHFFFAOYSA-N
XLogP1.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone with MolForge

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Related Compounds

N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide
CID 58780663
(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 70931367
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
CID 167431027
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
CID 167431031
2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431053
2-(2-acetamido-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431057

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone (CID 70931368) is (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone is O=C(C1Cc2cc(Cl)sc2N1)N1CCNCC1.
What is the InChIKey of (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone?
The InChIKey is DDOJWSAKZJRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-9-6-7-5-8(14-10(7)17-9)11(16)15-3-1-13-2-4-15/h6,8,13-14H,1-5H2.
What are the key properties of (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone?
(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone has a molecular weight of 271.77 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 70931368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).