3-methylsulfonyl-1-propan-2-yloxybutan-2-amine

C8H19NO3S — CID 105013343

IUPAC3-methylsulfonyl-1-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-6(2)12-5-8(9)7(3)13(4,10)11/h6-8H,5,9H2,1-4H3
InChIKeyJFKXCDYKXDANOO-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.17
Rot. Bonds5

About 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine

3-methylsulfonyl-1-propan-2-yloxybutan-2-amine (PubChem CID 105013343) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-propan-2-yloxybutan-2-amine
PubChem CID105013343
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name3-methylsulfonyl-1-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-6(2)12-5-8(9)7(3)13(4,10)11/h6-8H,5,9H2,1-4H3
InChIKeyJFKXCDYKXDANOO-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Thiophenamine, tetrahydro-4-methoxy-, 1,1-dioxide
CID 75485522
N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769765
1-Methoxy-4-methylsulfonylbutan-2-amine
CID 62604656
N-(1-methoxypropan-2-yl)-3-methylsulfonylpropane-1-sulfonamide
CID 88530514
(2S)-1-methoxy-4-methylsulfonylbutan-2-amine
CID 89421052
N-(2-propan-2-yloxyethyl)propane-2-sulfonamide
CID 104600675
N-[(2S)-3-methylsulfonyl-2-propan-2-yloxypropyl]methanesulfonamide
CID 121481103
N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide
CID 121481114
N-(3-methylsulfonyl-2-propan-2-yloxypropyl)methanesulfonamide
CID 121481162
1-(1-Propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine
CID 170120030
N-(1-ethoxypropan-2-yl)propane-2-sulfonamide
CID 61578944
N-(1-ethoxypropan-2-yl)propane-1-sulfonamide
CID 61578945

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine?
The IUPAC name of 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine (CID 105013343) is 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine.
What is the SMILES notation for 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine?
The canonical SMILES for 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine is CC(C)OCC(N)C(C)S(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine?
The InChIKey is JFKXCDYKXDANOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-6(2)12-5-8(9)7(3)13(4,10)11/h6-8H,5,9H2,1-4H3.
What are the key properties of 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine?
3-methylsulfonyl-1-propan-2-yloxybutan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 105013343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).