3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide

C11H20N4O2S2 — CID 97186451

IUPAC3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide
SMILESC[C@@H]1CN(CCCS(N)(=O)=O)CCN1c1nccs1
InChIInChI=1S/C11H20N4O2S2/c1-10-9-14(4-2-8-19(12,16)17)5-6-15(10)11-13-3-7-18-11/h3,7,10H,2,4-6,8-9H2,1H3,(H2,12,16,17)/t10-/m1/s1
InChIKeyHOKRZWRDAKKYQG-SNVBAGLBSA-N
MW304.44 g/mol
LogP0.33
Rot. Bonds5

About 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide

3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide (PubChem CID 97186451) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide
PubChem CID97186451
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide
SMILESC[C@@H]1CN(CCCS(N)(=O)=O)CCN1c1nccs1
InChIInChI=1S/C11H20N4O2S2/c1-10-9-14(4-2-8-19(12,16)17)5-6-15(10)11-13-3-7-18-11/h3,7,10H,2,4-6,8-9H2,1H3,(H2,12,16,17)/t10-/m1/s1
InChIKeyHOKRZWRDAKKYQG-SNVBAGLBSA-N
XLogP0.33
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 97199173
2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 97199197
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257
N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369832
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97186385
3-[(3R)-4-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]propane-1-sulfonamide
CID 100843328
2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 75369822
1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 75369876
2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 97094603
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95319788

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide (CID 97186451) is 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide is C[C@@H]1CN(CCCS(N)(=O)=O)CCN1c1nccs1.
What is the InChIKey of 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide?
The InChIKey is HOKRZWRDAKKYQG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-10-9-14(4-2-8-19(12,16)17)5-6-15(10)11-13-3-7-18-11/h3,7,10H,2,4-6,8-9H2,1H3,(H2,12,16,17)/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide?
3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 97186451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).