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

C15H24N2O2S2 — CID 107407005

IUPAC3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2CCCSC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-3-11-8-14(16)13(4-2)15(9-11)21(18,19)17-12-6-5-7-20-10-12/h8-9,12,17H,3-7,10,16H2,1-2H3
InChIKeyIFOVGQDQCNAXNT-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.57
Rot. Bonds5

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

3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide (PubChem CID 107407005) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
PubChem CID107407005
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2CCCSC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-3-11-8-14(16)13(4-2)15(9-11)21(18,19)17-12-6-5-7-20-10-12/h8-9,12,17H,3-7,10,16H2,1-2H3
InChIKeyIFOVGQDQCNAXNT-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.57
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-(thiolan-3-yl)benzenesulfonamide
CID 107407116
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081559
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081605
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
2-bromo-5-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081454

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide (CID 107407005) is 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)NC2CCCSC2)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide?
The InChIKey is IFOVGQDQCNAXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-11-8-14(16)13(4-2)15(9-11)21(18,19)17-12-6-5-7-20-10-12/h8-9,12,17H,3-7,10,16H2,1-2H3.
What are the key properties of 3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.57, 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-(thian-3-yl)benzenesulfonamide is sourced from PubChem (CID 107407005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).