1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine

C8H19NO4S — CID 107508649

IUPAC1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
SMILESCOCCCS(=O)(=O)CC(N)COC
InChIInChI=1S/C8H19NO4S/c1-12-4-3-5-14(10,11)7-8(9)6-13-2/h8H,3-7,9H2,1-2H3
InChIKeyITVLRSZVRSNQRP-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.59
Rot. Bonds8

About 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine

1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine (PubChem CID 107508649) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
PubChem CID107508649
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
SMILESCOCCCS(=O)(=O)CC(N)COC
InChIInChI=1S/C8H19NO4S/c1-12-4-3-5-14(10,11)7-8(9)6-13-2/h8H,3-7,9H2,1-2H3
InChIKeyITVLRSZVRSNQRP-UHFFFAOYSA-N
XLogP-0.59
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64674463
3-methoxypropane-1-sulfonamide
CID 22737399
3-methoxy-1-(3-methoxypropylsulfonyl)-N,3-dimethylbutan-2-amine
CID 114228834
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130
1-(3-methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513
2-(3-methoxypropylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64674466
N-ethyl-1-(3-methoxypropylsulfonyl)pentan-2-amine
CID 64675460
1-(2-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070
1-(1,3-benzodioxol-5-yl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64675655
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
methyl 3-methoxypropane-1-sulfonate
CID 59109575

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine (CID 107508649) is 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine is COCCCS(=O)(=O)CC(N)COC.
What is the InChIKey of 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine?
The InChIKey is ITVLRSZVRSNQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-12-4-3-5-14(10,11)7-8(9)6-13-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine?
1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine has a molecular weight of 225.31 g/mol, XLogP of -0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine is sourced from PubChem (CID 107508649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).