4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide

C14H19N3O2S2 — CID 97110420

IUPAC4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCc1nc(CCN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-10(16-8-7-13-9-20-11(2)17-13)12-3-5-14(6-4-12)21(15,18)19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,18,19)/t10-/m0/s1
InChIKeyCUJSXYXOFJKTAM-JTQLQIEISA-N
MW325.46 g/mol
LogP1.99
Rot. Bonds6

About 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide

4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 97110420) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID97110420
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCc1nc(CCN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-10(16-8-7-13-9-20-11(2)17-13)12-3-5-14(6-4-12)21(15,18)19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,18,19)/t10-/m0/s1
InChIKeyCUJSXYXOFJKTAM-JTQLQIEISA-N
XLogP1.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide (CID 97110420) is 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide is Cc1nc(CCN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is CUJSXYXOFJKTAM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(16-8-7-13-9-20-11(2)17-13)12-3-5-14(6-4-12)21(15,18)19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,18,19)/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97110420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).