N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine

C14H23NO4S — CID 62582683

IUPACN-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine
SMILESCOCCCNCC(C)Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H23NO4S/c1-12(11-15-8-5-9-18-2)19-13-6-4-7-14(10-13)20(3,16)17/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3
InChIKeyONMOCOAADSSSKR-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.48
Rot. Bonds9

About N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine

N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine (PubChem CID 62582683) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine
PubChem CID62582683
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine
SMILESCOCCCNCC(C)Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H23NO4S/c1-12(11-15-8-5-9-18-2)19-13-6-4-7-14(10-13)20(3,16)17/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3
InChIKeyONMOCOAADSSSKR-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.48
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

N-[2-(3-methylsulfonylphenoxy)propyl]pentan-1-amine
CID 62582496
2-(3-methylsulfonylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62582874
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
methyl 3-(1-methoxypropan-2-yloxy)-5-(3-methylsulfonylphenoxy)benzoate
CID 122417383
N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-1-amine
CID 62583062
1-(3-methoxypropyl)-3-(3-methylsulfonylphenyl)urea
CID 47201415
5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
CID 62486291
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide
CID 119797567
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
2-methyl-2-(methylamino)-4-(3-methylsulfonylphenoxy)pentanoic acid
CID 64721796

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine (CID 62582683) is N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine is COCCCNCC(C)Oc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine?
The InChIKey is ONMOCOAADSSSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-12(11-15-8-5-9-18-2)19-13-6-4-7-14(10-13)20(3,16)17/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine?
N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine is sourced from PubChem (CID 62582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).