[[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate

C4H9NO3SSi — CID 151585983

IUPAC[[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON[SiH](O)S
InChIInChI=1S/C4H9NO3SSi/c1-3(2)4(6)8-5-10(7)9/h5,7,9-10H,1H2,2H3
InChIKeyQHMMNHBZDHFTLW-UHFFFAOYSA-N
MW179.27 g/mol
LogP-0.75
Rot. Bonds3

About [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate

[[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate (PubChem CID 151585983) has the molecular formula C4H9NO3SSi and a molecular weight of 179.27 g/mol. Its IUPAC name is [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate
PubChem CID151585983
Molecular FormulaC4H9NO3SSi
Molecular Weight179.27 g/mol
Exact Mass179.01
IUPAC Name[[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON[SiH](O)S
InChIInChI=1S/C4H9NO3SSi/c1-3(2)4(6)8-5-10(7)9/h5,7,9-10H,1H2,2H3
InChIKeyQHMMNHBZDHFTLW-UHFFFAOYSA-N
XLogP-0.75
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
(propan-2-ylamino) 2-methylprop-2-enoate
CID 140503807
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
[hydroxy(methyl)silyl] 2-methylprop-2-enoate
CID 173415248
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
CID 174983708
ethenyl acetate;methyl 2-methylprop-2-enoate
CID 22003389
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate?
The IUPAC name of [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate (CID 151585983) is [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate.
What is the SMILES notation for [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate?
The canonical SMILES for [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate is C=C(C)C(=O)ON[SiH](O)S.
What is the InChIKey of [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate?
The InChIKey is QHMMNHBZDHFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3SSi/c1-3(2)4(6)8-5-10(7)9/h5,7,9-10H,1H2,2H3.
What are the key properties of [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate?
[[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate has a molecular weight of 179.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(sulfanyl)silyl]amino] 2-methylprop-2-enoate is sourced from PubChem (CID 151585983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).