N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide

C7H19N2O3PS — CID 18738504

IUPACN-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
SMILESCC(C(O)CN(C)S(C)(=O)=O)N(C)P
InChIInChI=1S/C7H19N2O3PS/c1-6(9(3)13)7(10)5-8(2)14(4,11)12/h6-7,10H,5,13H2,1-4H3
InChIKeyJYRVHNVCKFXNBE-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.65
Rot. Bonds5

About N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide

N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide (PubChem CID 18738504) has the molecular formula C7H19N2O3PS and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
PubChem CID18738504
Molecular FormulaC7H19N2O3PS
Molecular Weight242.28 g/mol
Exact Mass242.09
IUPAC NameN-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
SMILESCC(C(O)CN(C)S(C)(=O)=O)N(C)P
InChIInChI=1S/C7H19N2O3PS/c1-6(9(3)13)7(10)5-8(2)14(4,11)12/h6-7,10H,5,13H2,1-4H3
InChIKeyJYRVHNVCKFXNBE-UHFFFAOYSA-N
XLogP-0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.65
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-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide (CID 18738504) is N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide is CC(C(O)CN(C)S(C)(=O)=O)N(C)P.
What is the InChIKey of N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide?
The InChIKey is JYRVHNVCKFXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O3PS/c1-6(9(3)13)7(10)5-8(2)14(4,11)12/h6-7,10H,5,13H2,1-4H3.
What are the key properties of N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide?
N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide has a molecular weight of 242.28 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 18738504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).