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

C14H22N2O2S2 — CID 106084383

IUPAC2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C14H22N2O2S2/c1-2-15-11-12-5-3-4-6-14(12)20(17,18)16-13-7-9-19-10-8-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyVCIZTIWXSPQLLO-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.97
Rot. Bonds6

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

2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide (PubChem CID 106084383) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
PubChem CID106084383
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C14H22N2O2S2/c1-2-15-11-12-5-3-4-6-14(12)20(17,18)16-13-7-9-19-10-8-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyVCIZTIWXSPQLLO-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.97
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
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
2-nitro-N-(thian-4-yl)benzenesulfonamide
CID 70967975
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
N-cyclopropyl-2-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 63351840
2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203328
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide (CID 106084383) is 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
The InChIKey is VCIZTIWXSPQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-2-15-11-12-5-3-4-6-14(12)20(17,18)16-13-7-9-19-10-8-13/h3-6,13,15-16H,2,7-11H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide is sourced from PubChem (CID 106084383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).