3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine

C10H18N4O2S2 — CID 54944607

IUPAC3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H18N4O2S2/c11-2-1-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-10/h3,8H,1-2,4-7,9,11H2
InChIKeyAULLCFXREAGHJB-UHFFFAOYSA-N
MW290.41 g/mol
LogP-0.06
Rot. Bonds5

About 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine

3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine (PubChem CID 54944607) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine
PubChem CID54944607
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H18N4O2S2/c11-2-1-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-10/h3,8H,1-2,4-7,9,11H2
InChIKeyAULLCFXREAGHJB-UHFFFAOYSA-N
XLogP-0.06
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(oxan-4-yl)ethylsulfonyl]piperazin-1-yl]-1,3-thiazole
CID 125419686
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969
4-(1,3-thiazol-2-yl)-N'-(2-thiomorpholin-4-ylsulfonylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111804825
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257
4-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 119863990
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 25476221

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine (CID 54944607) is 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine is NCCCS(=O)(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine?
The InChIKey is AULLCFXREAGHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c11-2-1-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-10/h3,8H,1-2,4-7,9,11H2.
What are the key properties of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine?
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine has a molecular weight of 290.41 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylpropan-1-amine is sourced from PubChem (CID 54944607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).