N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide

C9H22NO4PS — CID 88991650

IUPACN-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)O[C@@H](CNS(C)(=O)=O)CP(C)(C)=O
InChIInChI=1S/C9H22NO4PS/c1-8(2)14-9(7-15(3,4)11)6-10-16(5,12)13/h8-10H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyAWOBJUADWOLIIK-VIFPVBQESA-N
MW271.32 g/mol
LogP0.95
Rot. Bonds7

About N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide

N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide (PubChem CID 88991650) has the molecular formula C9H22NO4PS and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
PubChem CID88991650
Molecular FormulaC9H22NO4PS
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC NameN-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)O[C@@H](CNS(C)(=O)=O)CP(C)(C)=O
InChIInChI=1S/C9H22NO4PS/c1-8(2)14-9(7-15(3,4)11)6-10-16(5,12)13/h8-10H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyAWOBJUADWOLIIK-VIFPVBQESA-N
XLogP0.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide?
The IUPAC name of N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide (CID 88991650) is N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide is CC(C)O[C@@H](CNS(C)(=O)=O)CP(C)(C)=O.
What is the InChIKey of N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide?
The InChIKey is AWOBJUADWOLIIK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22NO4PS/c1-8(2)14-9(7-15(3,4)11)6-10-16(5,12)13/h8-10H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide?
N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide has a molecular weight of 271.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide is sourced from PubChem (CID 88991650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).