3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide

C14H22N2O2S2 — CID 107407116

IUPAC3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2CCSC2)c1
InChIInChI=1S/C14H22N2O2S2/c1-3-10-7-13(15)12(4-2)14(8-10)20(17,18)16-11-5-6-19-9-11/h7-8,11,16H,3-6,9,15H2,1-2H3
InChIKeyLYOJUOIGJWIXEH-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.18
Rot. Bonds5

About 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide

3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 107407116) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID107407116
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2CCSC2)c1
InChIInChI=1S/C14H22N2O2S2/c1-3-10-7-13(15)12(4-2)14(8-10)20(17,18)16-11-5-6-19-9-11/h7-8,11,16H,3-6,9,15H2,1-2H3
InChIKeyLYOJUOIGJWIXEH-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
CID 107407005
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064624
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide (CID 107407116) is 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)NC2CCSC2)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is LYOJUOIGJWIXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-10-7-13(15)12(4-2)14(8-10)20(17,18)16-11-5-6-19-9-11/h7-8,11,16H,3-6,9,15H2,1-2H3.
What are the key properties of 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 107407116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).