3-silylpropylsulfamic acid

C3H11NO3SSi — CID 175043710

IUPAC3-silylpropylsulfamic acid
SMILESO=S(=O)(O)NCCC[SiH3]
InChIInChI=1S/C3H11NO3SSi/c5-8(6,7)4-2-1-3-9/h4H,1-3H2,9H3,(H,5,6,7)
InChIKeyDZPNYTRUDRETTR-UHFFFAOYSA-N
MW169.28 g/mol
LogP-1.45
Rot. Bonds4

About 3-silylpropylsulfamic acid

3-silylpropylsulfamic acid (PubChem CID 175043710) has the molecular formula C3H11NO3SSi and a molecular weight of 169.28 g/mol. Its IUPAC name is 3-silylpropylsulfamic acid.

Molecular Properties

Compound Name3-silylpropylsulfamic acid
PubChem CID175043710
Molecular FormulaC3H11NO3SSi
Molecular Weight169.28 g/mol
Exact Mass169.02
IUPAC Name3-silylpropylsulfamic acid
SMILESO=S(=O)(O)NCCC[SiH3]
InChIInChI=1S/C3H11NO3SSi/c5-8(6,7)4-2-1-3-9/h4H,1-3H2,9H3,(H,5,6,7)
InChIKeyDZPNYTRUDRETTR-UHFFFAOYSA-N
XLogP-1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

10-hydroxydecylsulfamic acid
CID 151793979
4-fluorobutylsulfamic acid
CID 163287147
6-chlorohexylsulfamic acid
CID 139889503
6-methylheptylsulfamic acid
CID 87283481
2-methylsulfanylethylsulfamic acid
CID 174221380
hydroxymethylsulfamic acid
CID 23160175
sodium;3,3-dimethylbutylsulfamic acid;hydride
CID 173075108
ethylsulfamic acid;methane
CID 161279958
dodeca-3,6-dienylsulfamic acid
CID 74317793
[4-[4-(silylmethylamino)butoxy]phenyl]methylsulfamic acid
CID 173243053
1-(ethylsulfanylsulfonylamino)butane
CID 174743964
1-chloro-N-(4-hydroxybutyl)methanesulfonamide
CID 106844119

Frequently Asked Questions

What is the IUPAC name of 3-silylpropylsulfamic acid?
The IUPAC name of 3-silylpropylsulfamic acid (CID 175043710) is 3-silylpropylsulfamic acid.
What is the SMILES notation for 3-silylpropylsulfamic acid?
The canonical SMILES for 3-silylpropylsulfamic acid is O=S(=O)(O)NCCC[SiH3].
What is the InChIKey of 3-silylpropylsulfamic acid?
The InChIKey is DZPNYTRUDRETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO3SSi/c5-8(6,7)4-2-1-3-9/h4H,1-3H2,9H3,(H,5,6,7).
What are the key properties of 3-silylpropylsulfamic acid?
3-silylpropylsulfamic acid has a molecular weight of 169.28 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropylsulfamic acid is sourced from PubChem (CID 175043710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).