1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one

C16H26N2O4S2 — CID 136511986

IUPAC1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)c2cccs2)CC1
InChIInChI=1S/C16H26N2O4S2/c1-13(2)22-10-12-24(20,21)18-8-6-17(7-9-18)16(19)14(3)15-5-4-11-23-15/h4-5,11,13-14H,6-10,12H2,1-3H3
InChIKeySITTZDFEJUVVQE-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.75
Rot. Bonds7

About 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one

1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one (PubChem CID 136511986) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
PubChem CID136511986
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC Name1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)c2cccs2)CC1
InChIInChI=1S/C16H26N2O4S2/c1-13(2)22-10-12-24(20,21)18-8-6-17(7-9-18)16(19)14(3)15-5-4-11-23-15/h4-5,11,13-14H,6-10,12H2,1-3H3
InChIKeySITTZDFEJUVVQE-UHFFFAOYSA-N
XLogP1.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

(2S)-2-amino-3-phenyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one
CID 119343280
(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119343269
(2S)-2-amino-3,3-dimethyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119818068
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115286554
1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 136512905
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 166374121
(1-aminocyclohexyl)-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119343297
4-amino-3-methoxy-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120594194
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one (CID 136511986) is 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one is CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)c2cccs2)CC1.
What is the InChIKey of 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The InChIKey is SITTZDFEJUVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-13(2)22-10-12-24(20,21)18-8-6-17(7-9-18)16(19)14(3)15-5-4-11-23-15/h4-5,11,13-14H,6-10,12H2,1-3H3.
What are the key properties of 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one has a molecular weight of 374.53 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 136511986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).