3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide

C15H24N2O2S2 — CID 106084483

IUPAC3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NC2CCSCC2)c1C
InChIInChI=1S/C15H24N2O2S2/c1-3-16-11-13-5-4-6-15(12(13)2)21(18,19)17-14-7-9-20-10-8-14/h4-6,14,16-17H,3,7-11H2,1-2H3
InChIKeyZMFUGZPCIXQLCL-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.28
Rot. Bonds6

About 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide

3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide (PubChem CID 106084483) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
PubChem CID106084483
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NC2CCSCC2)c1C
InChIInChI=1S/C15H24N2O2S2/c1-3-16-11-13-5-4-6-15(12(13)2)21(18,19)17-14-7-9-20-10-8-14/h4-6,14,16-17H,3,7-11H2,1-2H3
InChIKeyZMFUGZPCIXQLCL-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071713
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide (CID 106084483) is 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide is CCNCc1cccc(S(=O)(=O)NC2CCSCC2)c1C.
What is the InChIKey of 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
The InChIKey is ZMFUGZPCIXQLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-16-11-13-5-4-6-15(12(13)2)21(18,19)17-14-7-9-20-10-8-14/h4-6,14,16-17H,3,7-11H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.28, 6 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-(thian-4-yl)benzenesulfonamide is sourced from PubChem (CID 106084483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).