4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide

C14H26N2O2S2 — CID 106053458

IUPAC4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC(CC)c1cccs1
InChIInChI=1S/C14H26N2O2S2/c1-3-9-15-10-5-6-12-20(17,18)16-13(4-2)14-8-7-11-19-14/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3
InChIKeyGQKCIYZINAZDBX-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.90
Rot. Bonds11

About 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide

4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide (PubChem CID 106053458) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
PubChem CID106053458
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NC(CC)c1cccs1
InChIInChI=1S/C14H26N2O2S2/c1-3-9-15-10-5-6-12-20(17,18)16-13(4-2)14-8-7-11-19-14/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3
InChIKeyGQKCIYZINAZDBX-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.90
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-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide
CID 54972175
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
2-[1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]thiophene
CID 106053430
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide?
The IUPAC name of 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide (CID 106053458) is 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NC(CC)c1cccs1.
What is the InChIKey of 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide?
The InChIKey is GQKCIYZINAZDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-3-9-15-10-5-6-12-20(17,18)16-13(4-2)14-8-7-11-19-14/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3.
What are the key properties of 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide?
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 106053458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).