N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide

C10H12N2O2S2 — CID 154705131

IUPACN-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc2ncsc2c1
InChIInChI=1S/C10H12N2O2S2/c1-16(13,14)12-5-4-8-2-3-9-10(6-8)15-7-11-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyLIKFGJGLXBBMIX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide

N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide (PubChem CID 154705131) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
PubChem CID154705131
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC NameN-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc2ncsc2c1
InChIInChI=1S/C10H12N2O2S2/c1-16(13,14)12-5-4-8-2-3-9-10(6-8)15-7-11-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyLIKFGJGLXBBMIX-UHFFFAOYSA-N
XLogP1.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-[2-(1,3-benzothiazol-6-yl)ethyl]-4-[(1-tert-butylpiperidin-3-yl)amino]-3-fluorobenzenesulfonamide
CID 167782851
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 103731094
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920
N-[5-(1,3-benzothiazol-6-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939102
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide
CID 171675395
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide
CID 110790838

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide (CID 154705131) is N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc2ncsc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide?
The InChIKey is LIKFGJGLXBBMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-16(13,14)12-5-4-8-2-3-9-10(6-8)15-7-11-9/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide?
N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide has a molecular weight of 256.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 154705131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).