2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine

C8H19NO3S — CID 91438008

IUPAC2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine
SMILESCOC(C)CNCCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-8(12-2)7-9-5-4-6-13(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyJGXUJNZRZMKXGR-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.05
Rot. Bonds7

About 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine

2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine (PubChem CID 91438008) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine
PubChem CID91438008
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine
SMILESCOC(C)CNCCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-8(12-2)7-9-5-4-6-13(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyJGXUJNZRZMKXGR-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Methanesulfonylmethyl)morpholine hydrochloride
CID 132300814
2-(Methanesulfonylmethyl)morpholine
CID 83696073
3-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 61490721
3-ethylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 65092902
3-methylsulfonyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65805816
N-(2-methylsulfonylethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276414
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylsulfonylpropan-1-amine
CID 105910143
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 105910927
2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 57992668
1-(3-Methylsulfonylpropylamino)propan-2-ol
CID 60069674
1-(3-Methylsulfonylpropylamino)butan-2-ol
CID 60069688
2-methoxy-N-(2-methylsulfonylethyl)ethanamine
CID 60719832

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine?
The IUPAC name of 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine (CID 91438008) is 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine?
The canonical SMILES for 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine is COC(C)CNCCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine?
The InChIKey is JGXUJNZRZMKXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(12-2)7-9-5-4-6-13(3,10)11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine?
2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylsulfonylpropyl)propan-1-amine is sourced from PubChem (CID 91438008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).