2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine

C10H17N3O2S — CID 65462346

IUPAC2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-10(2)8-12-5-6-13(10)16(14,15)9-3-4-11-7-9/h3-4,7,11-12H,5-6,8H2,1-2H3
InChIKeyXSLULUUQIGQYKJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.39
Rot. Bonds2

About 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine

2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine (PubChem CID 65462346) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
PubChem CID65462346
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-10(2)8-12-5-6-13(10)16(14,15)9-3-4-11-7-9/h3-4,7,11-12H,5-6,8H2,1-2H3
InChIKeyXSLULUUQIGQYKJ-UHFFFAOYSA-N
XLogP0.39
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine 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

3-Pyrrolesulfonic acid
CID 12071822
1H-Pyrrole-2-sulfonamide
CID 18971480
1H-Pyrrole-3-sulfonamide
CID 19693820
N-(1,1,1-trifluoro-2-methylbutan-2-yl)-1H-pyrrole-2-sulfonamide
CID 140316877
N-[1-(trifluoromethyl)cyclobutyl]-1H-pyrrole-3-sulfonamide
CID 140316887
N-[(2R)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159847585
N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159847586
N-[(2R)-1,1,1-trifluoropropan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159980594
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 174939785
N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 174971792
N-(1,1,1-trifluorobutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 174971866
2-Methallylsulfamoylazole
CID 129793574

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine (CID 65462346) is 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine is CC1(C)CNCCN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
The InChIKey is XSLULUUQIGQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2)8-12-5-6-13(10)16(14,15)9-3-4-11-7-9/h3-4,7,11-12H,5-6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine?
2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine has a molecular weight of 243.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine is sourced from PubChem (CID 65462346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).