3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide

C15H24N2O2S2 — CID 106071713

IUPAC3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1C
InChIInChI=1S/C15H24N2O2S2/c1-3-16-10-13-6-4-8-15(12(13)2)21(18,19)17-11-14-7-5-9-20-14/h4,6,8,14,16-17H,3,5,7,9-11H2,1-2H3
InChIKeyRIMBNRZJQKQMRD-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.28
Rot. Bonds7

About 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide

3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071713) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071713
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1C
InChIInChI=1S/C15H24N2O2S2/c1-3-16-10-13-6-4-8-15(12(13)2)21(18,19)17-11-14-7-5-9-20-14/h4,6,8,14,16-17H,3,5,7,9-11H2,1-2H3
InChIKeyRIMBNRZJQKQMRD-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084483
3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571
3-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106078424
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 83170369
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
4-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80586298
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071732
5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071705
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072195

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071713) is 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide is CCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1C.
What is the InChIKey of 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is RIMBNRZJQKQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-16-10-13-6-4-8-15(12(13)2)21(18,19)17-11-14-7-5-9-20-14/h4,6,8,14,16-17H,3,5,7,9-11H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide?
3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).