3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine

C10H23NO4S — CID 103416130

IUPAC3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
SMILESCOCCOCCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C10H23NO4S/c1-10(8-11)9-16(12,13)7-3-4-15-6-5-14-2/h10H,3-9,11H2,1-2H3
InChIKeyNARWADJWZFKREV-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.05
Rot. Bonds10

About 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine

3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine (PubChem CID 103416130) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
PubChem CID103416130
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
SMILESCOCCOCCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C10H23NO4S/c1-10(8-11)9-16(12,13)7-3-4-15-6-5-14-2/h10H,3-9,11H2,1-2H3
InChIKeyNARWADJWZFKREV-UHFFFAOYSA-N
XLogP0.05
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.05
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-Methyl-3-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]propan-1-amine
CID 81196072
2-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]propan-1-amine
CID 81196551
3-(2-Ethoxyethylsulfonyl)propan-1-amine
CID 58684964
2-Methyl-4-(2-(2-(2-methoxyethoxy)ethoxy)ethylsulfonyl)butan-2-amine
CID 86665511
4-(2-(2-(2-Ethoxyethoxy)ethoxy)ethylsulfonyl)-2-methylbutan-2-amine
CID 86665534
2-Methyl-4-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethylsulfonyl)butan-2-amine
CID 86665536
2-(3-Propoxypropylsulfinyl)ethanamine
CID 132133530
2-[3-(2,2-Dimethylpropoxy)propylsulfinyl]ethanamine
CID 134335539
2-[3-(2,2-Dimethylpropoxy)propylsulfonyl]ethanamine
CID 134488812
2-(3-Propoxypropylsulfonyl)ethanamine
CID 134492714
2-[1-(2-Tert-butylsulfonylethoxy)-2-methylpropan-2-yl]sulfonylethanamine
CID 146588811
3-[2-[2-[2-(2-Prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]propan-1-amine
CID 155400230

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine (CID 103416130) is 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine is COCCOCCCS(=O)(=O)CC(C)CN.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine?
The InChIKey is NARWADJWZFKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-10(8-11)9-16(12,13)7-3-4-15-6-5-14-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine?
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 0.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103416130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).