2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole

C15H21N3O2S2 — CID 95968803

IUPAC2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole
SMILESC[C@H](C1CC1)N(C)S(=O)(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C15H21N3O2S2/c1-11(12-7-8-12)18(2)22(19,20)16-10-9-15-17-13-5-3-4-6-14(13)21-15/h3-6,11-12,16H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyZAEMXRNTSFUCIU-LLVKDONJSA-N
MW339.49 g/mol
LogP2.40
Rot. Bonds7

About 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole

2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole (PubChem CID 95968803) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole
PubChem CID95968803
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole
SMILESC[C@H](C1CC1)N(C)S(=O)(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C15H21N3O2S2/c1-11(12-7-8-12)18(2)22(19,20)16-10-9-15-17-13-5-3-4-6-14(13)21-15/h3-6,11-12,16H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyZAEMXRNTSFUCIU-LLVKDONJSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 78809854
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71866461
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
CID 60681450
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 9190738
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71983569
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 96566498
N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide
CID 9190734
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-methylpiperidine-1-sulfonamide
CID 75402901
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole (CID 95968803) is 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole is C[C@H](C1CC1)N(C)S(=O)(=O)NCCc1nc2ccccc2s1.
What is the InChIKey of 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole?
The InChIKey is ZAEMXRNTSFUCIU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11(12-7-8-12)18(2)22(19,20)16-10-9-15-17-13-5-3-4-6-14(13)21-15/h3-6,11-12,16H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole?
2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole has a molecular weight of 339.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole is sourced from PubChem (CID 95968803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).