N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine

C11H18N2O3S — CID 110410258

IUPACN-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-8-12-17(14,15)13-9-10-4-6-11(16-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyYTUVQYAXIJAFRD-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.03
Rot. Bonds7

About N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine

N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine (PubChem CID 110410258) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
PubChem CID110410258
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-8-12-17(14,15)13-9-10-4-6-11(16-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyYTUVQYAXIJAFRD-UHFFFAOYSA-N
XLogP1.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
CID 110627484
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
CID 46406417
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754
N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
CID 110415082
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-(benzylsulfamoyl)butan-1-amine
CID 15569640
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine (CID 110410258) is N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine is CCCNS(=O)(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine?
The InChIKey is YTUVQYAXIJAFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-8-12-17(14,15)13-9-10-4-6-11(16-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine?
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine is sourced from PubChem (CID 110410258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).