2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C11H16N2OS2 — CID 146037585

IUPAC2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CS)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H16N2OS2/c14-11(9-15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h1-2,7,15H,3-6,8-9H2
InChIKeyKJAKUCOOVXYEIO-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.32
Rot. Bonds3

About 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 146037585) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID146037585
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CS)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H16N2OS2/c14-11(9-15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h1-2,7,15H,3-6,8-9H2
InChIKeyKJAKUCOOVXYEIO-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567
1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78801508
4-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 81075541
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
3-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 64683895

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 146037585) is 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CS)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is KJAKUCOOVXYEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c14-11(9-15)13-5-3-12(4-6-13)8-10-2-1-7-16-10/h1-2,7,15H,3-6,8-9H2.
What are the key properties of 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 256.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 146037585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).