3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine

C7H17NO3S — CID 64696371

IUPAC3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine
SMILESCOCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C7H17NO3S/c1-7(5-8)6-12(9,10)4-3-11-2/h7H,3-6,8H2,1-2H3
InChIKeyAMOUXYRROFCVRF-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.36
Rot. Bonds6

About 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine

3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine (PubChem CID 64696371) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine
PubChem CID64696371
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine
SMILESCOCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C7H17NO3S/c1-7(5-8)6-12(9,10)4-3-11-2/h7H,3-6,8H2,1-2H3
InChIKeyAMOUXYRROFCVRF-UHFFFAOYSA-N
XLogP-0.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine (CID 64696371) is 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine is COCCS(=O)(=O)CC(C)CN.
What is the InChIKey of 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is AMOUXYRROFCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-7(5-8)6-12(9,10)4-3-11-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine?
3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).