4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide

C10H25N3O4SSi — CID 147578496

IUPAC4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide
SMILESC[Si](C)(C)CCOC(O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H25N3O4SSi/c1-19(2,3)9-8-17-10(14)12-4-6-13(7-5-12)18(11,15)16/h10,14H,4-9H2,1-3H3,(H2,11,15,16)
InChIKeyFVYCCWSFQRCRGM-UHFFFAOYSA-N
MW311.48 g/mol
LogP-0.56
Rot. Bonds6

About 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide

4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide (PubChem CID 147578496) has the molecular formula C10H25N3O4SSi and a molecular weight of 311.48 g/mol. Its IUPAC name is 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide
PubChem CID147578496
Molecular FormulaC10H25N3O4SSi
Molecular Weight311.48 g/mol
Exact Mass311.13
IUPAC Name4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide
SMILESC[Si](C)(C)CCOC(O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H25N3O4SSi/c1-19(2,3)9-8-17-10(14)12-4-6-13(7-5-12)18(11,15)16/h10,14H,4-9H2,1-3H3,(H2,11,15,16)
InChIKeyFVYCCWSFQRCRGM-UHFFFAOYSA-N
XLogP-0.56
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-ylpiperazine-1-sulfonamide
CID 112692809
2-(4-sulfamoylpiperazin-1-yl)propanethioamide
CID 114959183
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 86922813
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108
4-methylpiperazine-1-sulfonamide
CID 14326005
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
methyl 2-(4-sulfamoylpiperazin-1-yl)sulfonylpropanoate
CID 61459480
ethoxy-(4-iodopiperazin-1-yl)methanol
CID 167216764
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
ethyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993635
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide (CID 147578496) is 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide is C[Si](C)(C)CCOC(O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide?
The InChIKey is FVYCCWSFQRCRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O4SSi/c1-19(2,3)9-8-17-10(14)12-4-6-13(7-5-12)18(11,15)16/h10,14H,4-9H2,1-3H3,(H2,11,15,16).
What are the key properties of 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide?
4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide has a molecular weight of 311.48 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(2-trimethylsilylethoxy)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 147578496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).