3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C14H19N3O2S2 — CID 61480691

IUPAC3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cccc(C(C)N)c2)n1
InChIInChI=1S/C14H19N3O2S2/c1-9(2)13-8-20-14(16-13)17-21(18,19)12-6-4-5-11(7-12)10(3)15/h4-10H,15H2,1-3H3,(H,16,17)
InChIKeyILLLRUSCDNVNGX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.09
Rot. Bonds5

About 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61480691) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61480691
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cccc(C(C)N)c2)n1
InChIInChI=1S/C14H19N3O2S2/c1-9(2)13-8-20-14(16-13)17-21(18,19)12-6-4-5-11(7-12)10(3)15/h4-10H,15H2,1-3H3,(H,16,17)
InChIKeyILLLRUSCDNVNGX-UHFFFAOYSA-N
XLogP3.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 43094459
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 54958513
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670
5-cyano-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106267684
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61480691) is 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is CC(C)c1csc(NS(=O)(=O)c2cccc(C(C)N)c2)n1.
What is the InChIKey of 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ILLLRUSCDNVNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-9(2)13-8-20-14(16-13)17-21(18,19)12-6-4-5-11(7-12)10(3)15/h4-10H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61480691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).