1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine

C12H20N2O2S2 — CID 770650

IUPAC1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
SMILESCCCS(=O)(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-2-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-11-12/h3,8,11H,2,4-7,9-10H2,1H3
InChIKeyPBZJURSVWUPOHK-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.61
Rot. Bonds5

About 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine

1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 770650) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
PubChem CID770650
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
SMILESCCCS(=O)(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-2-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-11-12/h3,8,11H,2,4-7,9-10H2,1H3
InChIKeyPBZJURSVWUPOHK-UHFFFAOYSA-N
XLogP1.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948877
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770625
1-[(4-bromophenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 2902415
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
1-propylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 61383814
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26545215
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 141119383
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine (CID 770650) is 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine is CCCS(=O)(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is PBZJURSVWUPOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-2-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-11-12/h3,8,11H,2,4-7,9-10H2,1H3.
What are the key properties of 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine?
1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 288.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 770650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).