5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide

C14H24N2O3S — CID 107198947

IUPAC5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C14H24N2O3S/c1-12-6-7-13(11-15)10-14(12)20(18,19)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11,15H2,1-2H3
InChIKeyZOIALCQHYZRUCF-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.24
Rot. Bonds8

About 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide

5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 107198947) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
PubChem CID107198947
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C14H24N2O3S/c1-12-6-7-13(11-15)10-14(12)20(18,19)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11,15H2,1-2H3
InChIKeyZOIALCQHYZRUCF-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
CID 107197606
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
3-amino-4-fluoro-N-(5-hydroxypentyl)-N,2,6-trimethylbenzenesulfonamide
CID 107326329
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107197602
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide (CID 107198947) is 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)N(C)CCCCCO.
What is the InChIKey of 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is ZOIALCQHYZRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12-6-7-13(11-15)10-14(12)20(18,19)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 107198947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).