4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

C14H24N2O3S — CID 107200603

IUPAC4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-12(15)13-6-8-14(9-7-13)20(18,19)16(2)10-4-3-5-11-17/h6-9,12,17H,3-5,10-11,15H2,1-2H3
InChIKeyZUNKFQDZXBWOQW-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.49
Rot. Bonds8

About 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (PubChem CID 107200603) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
PubChem CID107200603
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-12(15)13-6-8-14(9-7-13)20(18,19)16(2)10-4-3-5-11-17/h6-9,12,17H,3-5,10-11,15H2,1-2H3
InChIKeyZUNKFQDZXBWOQW-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.49
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

4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447802
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107202982
3-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199759
4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (CID 107200603) is 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is CC(N)c1ccc(S(=O)(=O)N(C)CCCCCO)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The InChIKey is ZUNKFQDZXBWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12(15)13-6-8-14(9-7-13)20(18,19)16(2)10-4-3-5-11-17/h6-9,12,17H,3-5,10-11,15H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107200603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).