N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide

C18H30N2O3SSi — CID 119040530

IUPACN-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[Si](C)(C)c1ccc(CC(=O)N2CCCC(CNS(C)(=O)=O)C2)cc1
InChIInChI=1S/C18H30N2O3SSi/c1-24(22,23)19-13-16-6-5-11-20(14-16)18(21)12-15-7-9-17(10-8-15)25(2,3)4/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeyQFTQABSESZCKDZ-UHFFFAOYSA-N
MW382.60 g/mol
LogP1.56
Rot. Bonds6

About N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 119040530) has the molecular formula C18H30N2O3SSi and a molecular weight of 382.60 g/mol. Its IUPAC name is N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID119040530
Molecular FormulaC18H30N2O3SSi
Molecular Weight382.60 g/mol
Exact Mass382.17
IUPAC NameN-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[Si](C)(C)c1ccc(CC(=O)N2CCCC(CNS(C)(=O)=O)C2)cc1
InChIInChI=1S/C18H30N2O3SSi/c1-24(22,23)19-13-16-6-5-11-20(14-16)18(21)12-15-7-9-17(10-8-15)25(2,3)4/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeyQFTQABSESZCKDZ-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722466
N-[[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044266
1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine
CID 72912279
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
4-methyl-N-[[1-[2-(4-nitrophenyl)acetyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 60618195
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide (CID 119040530) is N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide is C[Si](C)(C)c1ccc(CC(=O)N2CCCC(CNS(C)(=O)=O)C2)cc1.
What is the InChIKey of N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is QFTQABSESZCKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3SSi/c1-24(22,23)19-13-16-6-5-11-20(14-16)18(21)12-15-7-9-17(10-8-15)25(2,3)4/h7-10,16,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 382.60 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 119040530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).