N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine

C11H25NO3S — CID 115920811

IUPACN-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine
SMILESCCOCC(C)NC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-6-15-9-10(2)12-11(3,4)7-8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyCFANCDUSAHVMAE-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds8

About N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine

N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine (PubChem CID 115920811) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine
PubChem CID115920811
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine
SMILESCCOCC(C)NC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-6-15-9-10(2)12-11(3,4)7-8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyCFANCDUSAHVMAE-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine (CID 115920811) is N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine is CCOCC(C)NC(C)(C)CCS(C)(=O)=O.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine?
The InChIKey is CFANCDUSAHVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-15-9-10(2)12-11(3,4)7-8-16(5,13)14/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine?
N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-methyl-4-methylsulfonylbutan-2-amine is sourced from PubChem (CID 115920811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).