4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide

C14H22N2O3S2 — CID 106086377

IUPAC4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCSC2)c(OC)c1
InChIInChI=1S/C14H22N2O3S2/c1-3-15-9-11-4-5-14(13(8-11)19-2)21(17,18)16-12-6-7-20-10-12/h4-5,8,12,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyDSTQRUYGUVRTEQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.59
Rot. Bonds7

About 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide

4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 106086377) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID106086377
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2CCSC2)c(OC)c1
InChIInChI=1S/C14H22N2O3S2/c1-3-15-9-11-4-5-14(13(8-11)19-2)21(17,18)16-12-6-7-20-10-12/h4-5,8,12,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyDSTQRUYGUVRTEQ-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081559
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
2-[5-methoxy-2-(thiolan-3-ylsulfamoyl)phenyl]acetic acid
CID 103062531
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide (CID 106086377) is 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NC2CCSC2)c(OC)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is DSTQRUYGUVRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-15-9-11-4-5-14(13(8-11)19-2)21(17,18)16-12-6-7-20-10-12/h4-5,8,12,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide?
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106086377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).