N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide

C9H10N2O2S2 — CID 60681450

IUPACN-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C9H10N2O2S2/c1-15(12,13)10-6-9-11-7-4-2-3-5-8(7)14-9/h2-5,10H,6H2,1H3
InChIKeySWCOFMGWCQOYPC-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.35
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide

N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide (PubChem CID 60681450) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
PubChem CID60681450
Molecular FormulaC9H10N2O2S2
Molecular Weight242.32 g/mol
Exact Mass242.02
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C9H10N2O2S2/c1-15(12,13)10-6-9-11-7-4-2-3-5-8(7)14-9/h2-5,10H,6H2,1H3
InChIKeySWCOFMGWCQOYPC-UHFFFAOYSA-N
XLogP1.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-methylsulfonylpropan-2-amine
CID 64629909
N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
CID 32944413
N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-2-methylbenzenesulfonamide
CID 39622457
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 32944440
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
1,3-benzothiazol-2-ylmethanesulfonamide
CID 79818870
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
lithium 2-propyl-1,3-benzothiazole
CID 134890790
N-(1,3-benzothiazol-2-ylmethyl)pyrrol-1-amine
CID 79100724
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 104520110
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide (CID 60681450) is N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide?
The InChIKey is SWCOFMGWCQOYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-15(12,13)10-6-9-11-7-4-2-3-5-8(7)14-9/h2-5,10H,6H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide?
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide has a molecular weight of 242.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 60681450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).