N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide

C10H24NO5PS — CID 2871942

IUPACN-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide
SMILESCCCCN(CP(=O)(OCC)OCC)S(C)(=O)=O
InChIInChI=1S/C10H24NO5PS/c1-5-8-9-11(18(4,13)14)10-17(12,15-6-2)16-7-3/h5-10H2,1-4H3
InChIKeyLHALJRZGEGVDPO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.27
Rot. Bonds10

About N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide

N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide (PubChem CID 2871942) has the molecular formula C10H24NO5PS and a molecular weight of 301.35 g/mol. Its IUPAC name is N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide
PubChem CID2871942
Molecular FormulaC10H24NO5PS
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC NameN-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide
SMILESCCCCN(CP(=O)(OCC)OCC)S(C)(=O)=O
InChIInChI=1S/C10H24NO5PS/c1-5-8-9-11(18(4,13)14)10-17(12,15-6-2)16-7-3/h5-10H2,1-4H3
InChIKeyLHALJRZGEGVDPO-UHFFFAOYSA-N
XLogP2.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide?
The IUPAC name of N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide (CID 2871942) is N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide?
The canonical SMILES for N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide is CCCCN(CP(=O)(OCC)OCC)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide?
The InChIKey is LHALJRZGEGVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO5PS/c1-5-8-9-11(18(4,13)14)10-17(12,15-6-2)16-7-3/h5-10H2,1-4H3.
What are the key properties of N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide?
N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide has a molecular weight of 301.35 g/mol, XLogP of 2.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(diethoxyphosphorylmethyl)methanesulfonamide is sourced from PubChem (CID 2871942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).