N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide

C8H20NO3PS — CID 71336049

IUPACN-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide
SMILESCCC(C)P(=O)(CC)N(C)S(C)(=O)=O
InChIInChI=1S/C8H20NO3PS/c1-6-8(3)13(10,7-2)9(4)14(5,11)12/h8H,6-7H2,1-5H3
InChIKeyTZAUVOBBWSBLPN-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds5

About N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide

N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide (PubChem CID 71336049) has the molecular formula C8H20NO3PS and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide
PubChem CID71336049
Molecular FormulaC8H20NO3PS
Molecular Weight241.29 g/mol
Exact Mass241.09
IUPAC NameN-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide
SMILESCCC(C)P(=O)(CC)N(C)S(C)(=O)=O
InChIInChI=1S/C8H20NO3PS/c1-6-8(3)13(10,7-2)9(4)14(5,11)12/h8H,6-7H2,1-5H3
InChIKeyTZAUVOBBWSBLPN-UHFFFAOYSA-N
XLogP1.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[butan-2-ylsulfanyl(chloro)phosphoryl]-N-methylmethanesulfonamide
CID 54521959
N-[ethyl(propan-2-yl)phosphoryl]-N-methylmethanamine
CID 155154814
N-[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-N-methylacetamide
CID 54321009
N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
CID 86742742
2-diethoxyphosphorylbutane
CID 2733649
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
bis(butan-2-yl(ethyl)phosphinic acid);iron
CID 157342521
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380
N-propan-2-ylmethanesulfonohydrazide
CID 18735133
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
CID 18738504

Frequently Asked Questions

What is the IUPAC name of N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide?
The IUPAC name of N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide (CID 71336049) is N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide is CCC(C)P(=O)(CC)N(C)S(C)(=O)=O.
What is the InChIKey of N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide?
The InChIKey is TZAUVOBBWSBLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3PS/c1-6-8(3)13(10,7-2)9(4)14(5,11)12/h8H,6-7H2,1-5H3.
What are the key properties of N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide?
N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide has a molecular weight of 241.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yl(ethyl)phosphoryl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71336049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).