5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide

C14H24N2O3S2 — CID 106054144

IUPAC5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(C)c(CNC2CC2)s1
InChIInChI=1S/C14H24N2O3S2/c1-11-9-14(20-13(11)10-15-12-5-6-12)21(17,18)16-7-3-4-8-19-2/h9,12,15-16H,3-8,10H2,1-2H3
InChIKeyVHAAXEQDVGHSQT-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.01
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106054144) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
PubChem CID106054144
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(C)c(CNC2CC2)s1
InChIInChI=1S/C14H24N2O3S2/c1-11-9-14(20-13(11)10-15-12-5-6-12)21(17,18)16-7-3-4-8-19-2/h9,12,15-16H,3-8,10H2,1-2H3
InChIKeyVHAAXEQDVGHSQT-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
CID 103466078
5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071767
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
5-[(cyclopropylamino)methyl]-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013527
5-[(cyclopropylamino)methyl]-N-(1-ethoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106054395
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 106317127
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide (CID 106054144) is 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide is COCCCCNS(=O)(=O)c1cc(C)c(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is VHAAXEQDVGHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-11-9-14(20-13(11)10-15-12-5-6-12)21(17,18)16-7-3-4-8-19-2/h9,12,15-16H,3-8,10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106054144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).