5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide

C14H22N2O2S2 — CID 106071705

IUPAC5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NCC2CCCS2)c1C
InChIInChI=1S/C14H22N2O2S2/c1-10-6-12(8-15)7-14(11(10)2)20(17,18)16-9-13-4-3-5-19-13/h6-7,13,16H,3-5,8-9,15H2,1-2H3
InChIKeyUUQNTIRLPJEHTR-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.94
Rot. Bonds5

About 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071705) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071705
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NCC2CCCS2)c1C
InChIInChI=1S/C14H22N2O2S2/c1-10-6-12(8-15)7-14(11(10)2)20(17,18)16-9-13-4-3-5-19-13/h6-7,13,16H,3-5,8-9,15H2,1-2H3
InChIKeyUUQNTIRLPJEHTR-UHFFFAOYSA-N
XLogP1.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
CID 114141679
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
5-(aminomethyl)-2,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025455
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
5-(aminomethyl)-N-(2-methoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 102701453
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071705) is 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)NCC2CCCS2)c1C.
What is the InChIKey of 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UUQNTIRLPJEHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-10-6-12(8-15)7-14(11(10)2)20(17,18)16-9-13-4-3-5-19-13/h6-7,13,16H,3-5,8-9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).