3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C14H23N3O3S — CID 79079568

IUPAC3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C14H23N3O3S/c1-10-4-5-13(15)11(2)14(10)21(18,19)16-8-12-9-17(3)6-7-20-12/h4-5,12,16H,6-9,15H2,1-3H3
InChIKeyBBMDITRJGPOWII-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.49
Rot. Bonds4

About 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 79079568) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID79079568
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C14H23N3O3S/c1-10-4-5-13(15)11(2)14(10)21(18,19)16-8-12-9-17(3)6-7-20-12/h4-5,12,16H,6-9,15H2,1-3H3
InChIKeyBBMDITRJGPOWII-UHFFFAOYSA-N
XLogP0.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 79079568) is 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCC1CN(C)CCO1.
What is the InChIKey of 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is BBMDITRJGPOWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-4-5-13(15)11(2)14(10)21(18,19)16-8-12-9-17(3)6-7-20-12/h4-5,12,16H,6-9,15H2,1-3H3.
What are the key properties of 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79079568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).