4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C14H15N5O2S2 — CID 110873281

IUPAC4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C14H15N5O2S2/c20-23(21,12-2-1-9-22-12)19-7-5-18(6-8-19)14-11-3-4-15-13(11)16-10-17-14/h1-4,9-10H,5-8H2,(H,15,16,17)
InChIKeyDBOWOBIMRDJXQF-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.53
Rot. Bonds3

About 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 110873281) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID110873281
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C14H15N5O2S2/c20-23(21,12-2-1-9-22-12)19-7-5-18(6-8-19)14-11-3-4-15-13(11)16-10-17-14/h1-4,9-10H,5-8H2,(H,15,16,17)
InChIKeyDBOWOBIMRDJXQF-UHFFFAOYSA-N
XLogP1.53
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70777632
3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 2561714
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 172616633
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 171323909
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 136523184
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 127338304
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
4-oxo-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butanamide
CID 166372004
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 110873281) is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is O=S(=O)(c1cccs1)N1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DBOWOBIMRDJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c20-23(21,12-2-1-9-22-12)19-7-5-18(6-8-19)14-11-3-4-15-13(11)16-10-17-14/h1-4,9-10H,5-8H2,(H,15,16,17).
What are the key properties of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110873281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).