N-(1-dimethylsilyloxybutyl)propanethioamide

C9H21NOSSi — CID 173209517

IUPACN-(1-dimethylsilyloxybutyl)propanethioamide
SMILESCCCC(NC(=S)CC)O[SiH](C)C
InChIInChI=1S/C9H21NOSSi/c1-5-7-8(11-13(3)4)10-9(12)6-2/h8,13H,5-7H2,1-4H3,(H,10,12)
InChIKeyXYYBPUOQGAHMIY-UHFFFAOYSA-N
MW219.43 g/mol
LogP2.44
Rot. Bonds6

About N-(1-dimethylsilyloxybutyl)propanethioamide

N-(1-dimethylsilyloxybutyl)propanethioamide (PubChem CID 173209517) has the molecular formula C9H21NOSSi and a molecular weight of 219.43 g/mol. Its IUPAC name is N-(1-dimethylsilyloxybutyl)propanethioamide.

Molecular Properties

Compound NameN-(1-dimethylsilyloxybutyl)propanethioamide
PubChem CID173209517
Molecular FormulaC9H21NOSSi
Molecular Weight219.43 g/mol
Exact Mass219.11
IUPAC NameN-(1-dimethylsilyloxybutyl)propanethioamide
SMILESCCCC(NC(=S)CC)O[SiH](C)C
InChIInChI=1S/C9H21NOSSi/c1-5-7-8(11-13(3)4)10-9(12)6-2/h8,13H,5-7H2,1-4H3,(H,10,12)
InChIKeyXYYBPUOQGAHMIY-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylsilyloxybutan-1-amine
CID 173147624
1-isocyanatobutoxy(dimethyl)silane
CID 173012151
2-propylpentanoyl 2-propylpentanoate
CID 10923624
O-[butyl-di(propanethioyloxy)stannyl] propanethioate
CID 139915092
O-methyl 2-(methylamino)pentanethioate
CID 166719914
1-(carboxyamino)butylcarbamic acid
CID 174487694
2-(1-methoxybutylamino)ethanol
CID 134257831
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
2-(hydroxymethyl)pentanedithioic acid
CID 88671551
2-[[[diethyl(methyl)silyl]amino]-methylsilyl]pentane
CID 173461505
methyl 2-(hexan-3-ylamino)-2-oxoacetate
CID 112617114
CID 59088415
CID 59088415

Frequently Asked Questions

What is the IUPAC name of N-(1-dimethylsilyloxybutyl)propanethioamide?
The IUPAC name of N-(1-dimethylsilyloxybutyl)propanethioamide (CID 173209517) is N-(1-dimethylsilyloxybutyl)propanethioamide.
What is the SMILES notation for N-(1-dimethylsilyloxybutyl)propanethioamide?
The canonical SMILES for N-(1-dimethylsilyloxybutyl)propanethioamide is CCCC(NC(=S)CC)O[SiH](C)C.
What is the InChIKey of N-(1-dimethylsilyloxybutyl)propanethioamide?
The InChIKey is XYYBPUOQGAHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOSSi/c1-5-7-8(11-13(3)4)10-9(12)6-2/h8,13H,5-7H2,1-4H3,(H,10,12).
What are the key properties of N-(1-dimethylsilyloxybutyl)propanethioamide?
N-(1-dimethylsilyloxybutyl)propanethioamide has a molecular weight of 219.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dimethylsilyloxybutyl)propanethioamide is sourced from PubChem (CID 173209517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).