[(2S)-2-(phosphanylamino)propyl] methanesulfonate

C4H12NO3PS — CID 129153366

IUPAC[(2S)-2-(phosphanylamino)propyl] methanesulfonate
SMILESC[C@@H](COS(C)(=O)=O)NP
InChIInChI=1S/C4H12NO3PS/c1-4(5-9)3-8-10(2,6)7/h4-5H,3,9H2,1-2H3/t4-/m0/s1
InChIKeyKNXJRXRXWRIHLW-BYPYZUCNSA-N
MW185.18 g/mol
LogP-0.27
Rot. Bonds4

About [(2S)-2-(phosphanylamino)propyl] methanesulfonate

[(2S)-2-(phosphanylamino)propyl] methanesulfonate (PubChem CID 129153366) has the molecular formula C4H12NO3PS and a molecular weight of 185.18 g/mol. Its IUPAC name is [(2S)-2-(phosphanylamino)propyl] methanesulfonate.

Molecular Properties

Compound Name[(2S)-2-(phosphanylamino)propyl] methanesulfonate
PubChem CID129153366
Molecular FormulaC4H12NO3PS
Molecular Weight185.18 g/mol
Exact Mass185.03
IUPAC Name[(2S)-2-(phosphanylamino)propyl] methanesulfonate
SMILESC[C@@H](COS(C)(=O)=O)NP
InChIInChI=1S/C4H12NO3PS/c1-4(5-9)3-8-10(2,6)7/h4-5H,3,9H2,1-2H3/t4-/m0/s1
InChIKeyKNXJRXRXWRIHLW-BYPYZUCNSA-N
XLogP-0.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(phosphanylamino)propyl] methanesulfonate?
The IUPAC name of [(2S)-2-(phosphanylamino)propyl] methanesulfonate (CID 129153366) is [(2S)-2-(phosphanylamino)propyl] methanesulfonate.
What is the SMILES notation for [(2S)-2-(phosphanylamino)propyl] methanesulfonate?
The canonical SMILES for [(2S)-2-(phosphanylamino)propyl] methanesulfonate is C[C@@H](COS(C)(=O)=O)NP.
What is the InChIKey of [(2S)-2-(phosphanylamino)propyl] methanesulfonate?
The InChIKey is KNXJRXRXWRIHLW-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H12NO3PS/c1-4(5-9)3-8-10(2,6)7/h4-5H,3,9H2,1-2H3/t4-/m0/s1.
What are the key properties of [(2S)-2-(phosphanylamino)propyl] methanesulfonate?
[(2S)-2-(phosphanylamino)propyl] methanesulfonate has a molecular weight of 185.18 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(phosphanylamino)propyl] methanesulfonate is sourced from PubChem (CID 129153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).