N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide

C12H27NO3SSi — CID 134998261

IUPACN-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide
SMILESC=C(C[Si](C)(C)C)C(CO)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO3SSi/c1-10(9-18(5,6)7)11(8-14)13-17(15,16)12(2,3)4/h11,13-14H,1,8-9H2,2-7H3
InChIKeySIMJHQUAWINVHK-UHFFFAOYSA-N
MW293.51 g/mol
LogP1.96
Rot. Bonds6

About N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide

N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 134998261) has the molecular formula C12H27NO3SSi and a molecular weight of 293.51 g/mol. Its IUPAC name is N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID134998261
Molecular FormulaC12H27NO3SSi
Molecular Weight293.51 g/mol
Exact Mass293.15
IUPAC NameN-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide
SMILESC=C(C[Si](C)(C)C)C(CO)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO3SSi/c1-10(9-18(5,6)7)11(8-14)13-17(15,16)12(2,3)4/h11,13-14H,1,8-9H2,2-7H3
InChIKeySIMJHQUAWINVHK-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide
CID 101267758
N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide
CID 90912057
2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298408
N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
CID 66177542
N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
CID 63687492
1,1,1-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 79027896
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
(2S)-2-(tert-butylsulfonylamino)-3-(3,4-dihydroxyphenyl)propanoic acid
CID 63689156
(2R)-2-(tert-butylamino)-3-hydroxypropanamide
CID 87261665
(2S)-2-methyl-3-methylidenebutane-1,4-diol
CID 89028928
N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
CID 117063206
(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide (CID 134998261) is N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide is C=C(C[Si](C)(C)C)C(CO)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is SIMJHQUAWINVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3SSi/c1-10(9-18(5,6)7)11(8-14)13-17(15,16)12(2,3)4/h11,13-14H,1,8-9H2,2-7H3.
What are the key properties of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide?
N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 293.51 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134998261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).