4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

C13H20N2O2S2 — CID 80586512

IUPAC4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCC2CCCS2)cc1
InChIInChI=1S/C13H20N2O2S2/c14-8-7-11-3-5-13(6-4-11)19(16,17)15-10-12-2-1-9-18-12/h3-6,12,15H,1-2,7-10,14H2
InChIKeySSNWFIVQEFPDDL-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.36
Rot. Bonds6

About 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 80586512) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID80586512
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCC2CCCS2)cc1
InChIInChI=1S/C13H20N2O2S2/c14-8-7-11-3-5-13(6-4-11)19(16,17)15-10-12-2-1-9-18-12/h3-6,12,15H,1-2,7-10,14H2
InChIKeySSNWFIVQEFPDDL-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
CID 114141679
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
3-amino-4-nitro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 82848365
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 80586512) is 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is NCCc1ccc(S(=O)(=O)NCC2CCCS2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SSNWFIVQEFPDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c14-8-7-11-3-5-13(6-4-11)19(16,17)15-10-12-2-1-9-18-12/h3-6,12,15H,1-2,7-10,14H2.
What are the key properties of 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80586512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).