trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide

C3H11BNO5S- — CID 71660627

IUPACtrihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide
SMILESC[C@@H](NS(C)(=O)=O)[B-](O)(O)O
InChIInChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1
InChIKeyZTYRBLZCLIYDCR-GSVOUGTGSA-N
MW184.00 g/mol
LogP-2.62
Rot. Bonds3

About trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide

trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide (PubChem CID 71660627) has the molecular formula C3H11BNO5S- and a molecular weight of 184.00 g/mol. Its IUPAC name is trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide.

Molecular Properties

Compound Nametrihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide
PubChem CID71660627
Molecular FormulaC3H11BNO5S-
Molecular Weight184.00 g/mol
Exact Mass184.05
IUPAC Nametrihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide
SMILESC[C@@H](NS(C)(=O)=O)[B-](O)(O)O
InChIInChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1
InChIKeyZTYRBLZCLIYDCR-GSVOUGTGSA-N
XLogP-2.62
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide?
The IUPAC name of trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide (CID 71660627) is trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide.
What is the SMILES notation for trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide?
The canonical SMILES for trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide is C[C@@H](NS(C)(=O)=O)[B-](O)(O)O.
What is the InChIKey of trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide?
The InChIKey is ZTYRBLZCLIYDCR-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1.
What are the key properties of trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide?
trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide has a molecular weight of 184.00 g/mol, XLogP of -2.62, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[(1S)-1-(methanesulfonamido)ethyl]boranuide is sourced from PubChem (CID 71660627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).