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

C15H24N2O2S2 — CID 106071667

IUPAC2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCNCc1cc(C)c(C)c(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-11-7-13(9-16-3)8-15(12(11)2)21(18,19)17-10-14-5-4-6-20-14/h7-8,14,16-17H,4-6,9-10H2,1-3H3
InChIKeyLBRHWXZNEMPQLH-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.20
Rot. Bonds6

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

2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071667) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071667
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCNCc1cc(C)c(C)c(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-11-7-13(9-16-3)8-15(12(11)2)21(18,19)17-10-14-5-4-6-20-14/h7-8,14,16-17H,4-6,9-10H2,1-3H3
InChIKeyLBRHWXZNEMPQLH-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071705
2-bromo-5-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072208
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071747
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072195
5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071767
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide
CID 106074853
3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071713
2-chloro-N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106078391

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071667) is 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is CNCc1cc(C)c(C)c(S(=O)(=O)NCC2CCCS2)c1.
What is the InChIKey of 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is LBRHWXZNEMPQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-11-7-13(9-16-3)8-15(12(11)2)21(18,19)17-10-14-5-4-6-20-14/h7-8,14,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).