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

C6H15NO3S — CID 43445965

IUPAC3-(2-methoxyethylsulfonyl)propan-1-amine
SMILESCOCCS(=O)(=O)CCCN
InChIInChI=1S/C6H15NO3S/c1-10-4-6-11(8,9)5-2-3-7/h2-7H2,1H3
InChIKeyPPRUMOPGLMRQCA-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.60
Rot. Bonds6

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

3-(2-methoxyethylsulfonyl)propan-1-amine (PubChem CID 43445965) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfonyl)propan-1-amine
PubChem CID43445965
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name3-(2-methoxyethylsulfonyl)propan-1-amine
SMILESCOCCS(=O)(=O)CCCN
InChIInChI=1S/C6H15NO3S/c1-10-4-6-11(8,9)5-2-3-7/h2-7H2,1H3
InChIKeyPPRUMOPGLMRQCA-UHFFFAOYSA-N
XLogP-0.60
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethylsulfonyl)propan-1-amine (CID 43445965) is 3-(2-methoxyethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethylsulfonyl)propan-1-amine is COCCS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-methoxyethylsulfonyl)propan-1-amine?
The InChIKey is PPRUMOPGLMRQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-10-4-6-11(8,9)5-2-3-7/h2-7H2,1H3.
What are the key properties of 3-(2-methoxyethylsulfonyl)propan-1-amine?
3-(2-methoxyethylsulfonyl)propan-1-amine has a molecular weight of 181.26 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfonyl)propan-1-amine is sourced from PubChem (CID 43445965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).