N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide

C13H29NO3SSi — CID 101267758

IUPACN-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide
SMILESC=C(C[Si](C)(C)C)C(O)CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H29NO3SSi/c1-11(10-19(5,6)7)12(15)8-9-14-18(16,17)13(2,3)4/h12,14-15H,1,8-10H2,2-7H3
InChIKeyPTHJFRKHXSUBMN-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.35
Rot. Bonds7

About N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide

N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide (PubChem CID 101267758) has the molecular formula C13H29NO3SSi and a molecular weight of 307.53 g/mol. Its IUPAC name is N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide
PubChem CID101267758
Molecular FormulaC13H29NO3SSi
Molecular Weight307.53 g/mol
Exact Mass307.16
IUPAC NameN-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide
SMILESC=C(C[Si](C)(C)C)C(O)CCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H29NO3SSi/c1-11(10-19(5,6)7)12(15)8-9-14-18(16,17)13(2,3)4/h12,14-15H,1,8-10H2,2-7H3
InChIKeyPTHJFRKHXSUBMN-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.35
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-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide
CID 134998261
N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
CID 106125748
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
CID 114466800
N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
CID 66177542
N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide
CID 134927361
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835294
tert-butyl 3-(tert-butylsulfonylamino)propanoate
CID 174928986
N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
CID 90523463
N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide
CID 90912057
5-(tert-butylsulfonylamino)-N-(3,4-dihydroxy-2,5-dimethylphenyl)-3-methylpentanamide
CID 89214735
N-but-2-ynyl-2-methylpropane-2-sulfonamide
CID 167346891
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide (CID 101267758) is N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide is C=C(C[Si](C)(C)C)C(O)CCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide?
The InChIKey is PTHJFRKHXSUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3SSi/c1-11(10-19(5,6)7)12(15)8-9-14-18(16,17)13(2,3)4/h12,14-15H,1,8-10H2,2-7H3.
What are the key properties of N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide?
N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide has a molecular weight of 307.53 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 101267758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).