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

C14H22N2O2S2 — CID 106071571

IUPAC3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C14H22N2O2S2/c1-2-15-10-12-5-3-7-14(9-12)20(17,18)16-11-13-6-4-8-19-13/h3,5,7,9,13,15-16H,2,4,6,8,10-11H2,1H3
InChIKeyRVSLGQHGUZIDGL-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.97
Rot. Bonds7

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

3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071571) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071571
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C14H22N2O2S2/c1-2-15-10-12-5-3-7-14(9-12)20(17,18)16-11-13-6-4-8-19-13/h3,5,7,9,13,15-16H,2,4,6,8,10-11H2,1H3
InChIKeyRVSLGQHGUZIDGL-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071732
3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071641
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
3-(ethylaminomethyl)-2-methyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071713
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074143
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
CID 97244901
N-[[3-(methoxymethyl)phenyl]methyl]-1-(thian-2-yl)methanamine
CID 80600459
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071571) is 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is CCNCc1cccc(S(=O)(=O)NCC2CCCS2)c1.
What is the InChIKey of 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is RVSLGQHGUZIDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-2-15-10-12-5-3-7-14(9-12)20(17,18)16-11-13-6-4-8-19-13/h3,5,7,9,13,15-16H,2,4,6,8,10-11H2,1H3.
What are the key properties of 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).