4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide

C15H24N2O3S — CID 106058743

IUPAC4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCCCNC2CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-15-8-4-13(5-9-15)12-17-21(18,19)11-3-2-10-16-14-6-7-14/h4-5,8-9,14,16-17H,2-3,6-7,10-12H2,1H3
InChIKeyKFIQNBADFKMAJY-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.65
Rot. Bonds10

About 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide (PubChem CID 106058743) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
PubChem CID106058743
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCCCNC2CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-15-8-4-13(5-9-15)12-17-21(18,19)11-3-2-10-16-14-6-7-14/h4-5,8-9,14,16-17H,2-3,6-7,10-12H2,1H3
InChIKeyKFIQNBADFKMAJY-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.65
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

N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
CID 114137508
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
CID 28513568
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 106016093
N-[(4-ethylphenyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088943
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide (CID 106058743) is 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide is COc1ccc(CNS(=O)(=O)CCCCNC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide?
The InChIKey is KFIQNBADFKMAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-15-8-4-13(5-9-15)12-17-21(18,19)11-3-2-10-16-14-6-7-14/h4-5,8-9,14,16-17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106058743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).