5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

C14H23N3O2S2 — CID 106327381

IUPAC5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C14H23N3O2S2/c1-12-2-3-13(11-15)10-14(12)21(18,19)16-4-5-17-6-8-20-9-7-17/h2-3,10,16H,4-9,11,15H2,1H3
InChIKeyCQEOUHYDGYINEL-UHFFFAOYSA-N
MW329.49 g/mol
LogP0.78
Rot. Bonds6

About 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (PubChem CID 106327381) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
PubChem CID106327381
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C14H23N3O2S2/c1-12-2-3-13(11-15)10-14(12)21(18,19)16-4-5-17-6-8-20-9-7-17/h2-3,10,16H,4-9,11,15H2,1H3
InChIKeyCQEOUHYDGYINEL-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327376
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
CID 106327441
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327319
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
methyl 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-methylbenzoate
CID 170563671

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (CID 106327381) is 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)NCCN1CCSCC1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is CQEOUHYDGYINEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-12-2-3-13(11-15)10-14(12)21(18,19)16-4-5-17-6-8-20-9-7-17/h2-3,10,16H,4-9,11,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 329.49 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106327381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).