N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine

C10H23NO3S — CID 115742193

IUPACN-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCOC(C)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-6-14-9(2)7-11-8-10(3,4)15(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyVISPAXGUAKODOD-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.82
Rot. Bonds7

About N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine

N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115742193) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115742193
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCOC(C)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-6-14-9(2)7-11-8-10(3,4)15(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyVISPAXGUAKODOD-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate
CID 79551597
2-ethoxy-1-(sulfamoylamino)propane
CID 115650675
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
2-ethoxypropylsulfamic acid
CID 174221196
1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
CID 79562330
N,N-diethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552369
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79558553
N-(2-methyl-2-methylsulfonylpropyl)hept-6-en-1-amine
CID 107006950
N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 106078789
4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
CID 79551975
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
CID 79551403

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 115742193) is N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine is CCOC(C)CNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is VISPAXGUAKODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-6-14-9(2)7-11-8-10(3,4)15(5,12)13/h9,11H,6-8H2,1-5H3.
What are the key properties of N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine?
N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115742193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).