4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide

C14H24N2O2S — CID 106055066

IUPAC4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
SMILESCCC(NS(=O)(=O)CCCCNC)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-3-14(13-9-5-4-6-10-13)16-19(17,18)12-8-7-11-15-2/h4-6,9-10,14-16H,3,7-8,11-12H2,1-2H3
InChIKeyUUCRZUXQWJUNBN-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.06
Rot. Bonds9

About 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide

4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide (PubChem CID 106055066) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
PubChem CID106055066
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
SMILESCCC(NS(=O)(=O)CCCCNC)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-3-14(13-9-5-4-6-10-13)16-19(17,18)12-8-7-11-15-2/h4-6,9-10,14-16H,3,7-8,11-12H2,1-2H3
InChIKeyUUCRZUXQWJUNBN-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
CID 63290200
N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate
CID 92646992
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide (CID 106055066) is 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide is CCC(NS(=O)(=O)CCCCNC)c1ccccc1.
What is the InChIKey of 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide?
The InChIKey is UUCRZUXQWJUNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-14(13-9-5-4-6-10-13)16-19(17,18)12-8-7-11-15-2/h4-6,9-10,14-16H,3,7-8,11-12H2,1-2H3.
What are the key properties of 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide?
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 106055066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).