3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide

C13H21N3O4S — CID 114399093

IUPAC3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2ccc(O)c(N)c2)C1
InChIInChI=1S/C13H21N3O4S/c1-2-16-5-6-20-10(9-16)8-15-21(18,19)11-3-4-13(17)12(14)7-11/h3-4,7,10,15,17H,2,5-6,8-9,14H2,1H3
InChIKeyDQSFMUBUKIKUTD-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.03
Rot. Bonds5

About 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide (PubChem CID 114399093) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
PubChem CID114399093
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2ccc(O)c(N)c2)C1
InChIInChI=1S/C13H21N3O4S/c1-2-16-5-6-20-10(9-16)8-15-21(18,19)11-3-4-13(17)12(14)7-11/h3-4,7,10,15,17H,2,5-6,8-9,14H2,1H3
InChIKeyDQSFMUBUKIKUTD-UHFFFAOYSA-N
XLogP-0.03
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 114401039
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide (CID 114399093) is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide is CCN1CCOC(CNS(=O)(=O)c2ccc(O)c(N)c2)C1.
What is the InChIKey of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide?
The InChIKey is DQSFMUBUKIKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-16-5-6-20-10(9-16)8-15-21(18,19)11-3-4-13(17)12(14)7-11/h3-4,7,10,15,17H,2,5-6,8-9,14H2,1H3.
What are the key properties of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide?
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 114399093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).