1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine

C15H24N2O3S2 — CID 131907476

IUPAC1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-2-22(18,19)17-9-7-16(8-10-17)12-13-5-6-15(21-13)14-4-3-11-20-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyPCTPQVIZSRIUNY-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.07
Rot. Bonds5

About 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine

1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine (PubChem CID 131907476) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
PubChem CID131907476
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-2-22(18,19)17-9-7-16(8-10-17)12-13-5-6-15(21-13)14-4-3-11-20-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyPCTPQVIZSRIUNY-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]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

1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95877254
1-[(1-methylimidazol-2-yl)methyl]-4-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 99951233
1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 77084296
1-(3-methyl-2-pyridinyl)-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95726464
2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
CID 95143429
1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56749490
6-[4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 74246038
N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 77083888
9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126433881
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854874
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine (CID 131907476) is 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine is CCS(=O)(=O)N1CCN(Cc2ccc(C3CCCO3)s2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
The InChIKey is PCTPQVIZSRIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-2-22(18,19)17-9-7-16(8-10-17)12-13-5-6-15(21-13)14-4-3-11-20-14/h5-6,14H,2-4,7-12H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine has a molecular weight of 344.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 131907476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).