N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide

C15H26N2O3S — CID 106003226

IUPACN-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccccc1COC
InChIInChI=1S/C15H26N2O3S/c1-3-10-16-11-6-7-12-21(18,19)17-15-9-5-4-8-14(15)13-20-2/h4-5,8-9,16-17H,3,6-7,10-13H2,1-2H3
InChIKeyRTTNRSHDQCBRSG-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.35
Rot. Bonds11

About N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide

N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide (PubChem CID 106003226) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
PubChem CID106003226
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccccc1COC
InChIInChI=1S/C15H26N2O3S/c1-3-10-16-11-6-7-12-21(18,19)17-15-9-5-4-8-14(15)13-20-2/h4-5,8-9,16-17H,3,6-7,10-13H2,1-2H3
InChIKeyRTTNRSHDQCBRSG-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
N-(2-chlorophenyl)-3-(propylamino)propane-1-sulfonamide
CID 114141241
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
N-[2-(difluoromethylsulfanyl)phenyl]-3-(propylamino)propane-1-sulfonamide
CID 106057856
N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106071169
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide (CID 106003226) is N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)Nc1ccccc1COC.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide?
The InChIKey is RTTNRSHDQCBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-10-16-11-6-7-12-21(18,19)17-15-9-5-4-8-14(15)13-20-2/h4-5,8-9,16-17H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide?
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106003226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).