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

C14H23N3O2S2 — CID 106327376

IUPAC3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C14H23N3O2S2/c1-12-13(11-15)3-2-4-14(12)21(18,19)16-5-6-17-7-9-20-10-8-17/h2-4,16H,5-11,15H2,1H3
InChIKeyUFQCYIZLSNVLOR-UHFFFAOYSA-N
MW329.49 g/mol
LogP0.78
Rot. Bonds6

About 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (PubChem CID 106327376) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
PubChem CID106327376
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C14H23N3O2S2/c1-12-13(11-15)3-2-4-14(12)21(18,19)16-5-6-17-7-9-20-10-8-17/h2-4,16H,5-11,15H2,1H3
InChIKeyUFQCYIZLSNVLOR-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
5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327381
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
CID 106327441
3-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106078424
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324656
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
3-(aminomethyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106016273
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (CID 106327376) is 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is Cc1c(CN)cccc1S(=O)(=O)NCCN1CCSCC1.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is UFQCYIZLSNVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-12-13(11-15)3-2-4-14(12)21(18,19)16-5-6-17-7-9-20-10-8-17/h2-4,16H,5-11,15H2,1H3.
What are the key properties of 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
3-(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 3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106327376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).