2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide

C14H24N2O3S2 — CID 106092757

IUPAC2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
SMILESCOCCCCCNS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C14H24N2O3S2/c1-19-9-4-2-3-8-16-21(17,18)14-7-10-20-13(14)11-15-12-5-6-12/h7,10,12,15-16H,2-6,8-9,11H2,1H3
InChIKeyWPBKXKJTOXSEEP-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.10
Rot. Bonds11

About 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide (PubChem CID 106092757) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
PubChem CID106092757
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
SMILESCOCCCCCNS(=O)(=O)c1ccsc1CNC1CC1
InChIInChI=1S/C14H24N2O3S2/c1-19-9-4-2-3-8-16-21(17,18)14-7-10-20-13(14)11-15-12-5-6-12/h7,10,12,15-16H,2-6,8-9,11H2,1H3
InChIKeyWPBKXKJTOXSEEP-UHFFFAOYSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.10
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

2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054144
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077237
2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106068037
2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
CID 106218686
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81064513
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide (CID 106092757) is 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide is COCCCCCNS(=O)(=O)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide?
The InChIKey is WPBKXKJTOXSEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-19-9-4-2-3-8-16-21(17,18)14-7-10-20-13(14)11-15-12-5-6-12/h7,10,12,15-16H,2-6,8-9,11H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106092757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).