N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine

C17H22N2O3S — CID 110612296

IUPACN-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine
SMILESCNS(=O)(=O)NCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-18-23(20,21)19-13-5-8-15-9-11-17(12-10-15)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3
InChIKeyAXCVLQQNAJDTIQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.25
Rot. Bonds9

About N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine

N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine (PubChem CID 110612296) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine
PubChem CID110612296
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine
SMILESCNS(=O)(=O)NCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O3S/c1-18-23(20,21)19-13-5-8-15-9-11-17(12-10-15)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3
InChIKeyAXCVLQQNAJDTIQ-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
1-[5-(benzenesulfonyl)pentyl]-4-phenylmethoxybenzene;ethane
CID 155721797
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778
2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 52630971

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine?
The IUPAC name of N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine (CID 110612296) is N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine.
What is the SMILES notation for N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine?
The canonical SMILES for N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine is CNS(=O)(=O)NCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine?
The InChIKey is AXCVLQQNAJDTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18-23(20,21)19-13-5-8-15-9-11-17(12-10-15)22-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3.
What are the key properties of N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine?
N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine has a molecular weight of 334.44 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)-3-(4-phenylmethoxyphenyl)propan-1-amine is sourced from PubChem (CID 110612296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).