N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide

C14H18N2O4S2 — CID 126833927

IUPACN-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1nsc2ccccc12)C1CCOC1
InChIInChI=1S/C14H18N2O4S2/c1-19-12(10-6-7-20-8-10)9-22(17,18)16-14-11-4-2-3-5-13(11)21-15-14/h2-5,10,12H,6-9H2,1H3,(H,15,16)
InChIKeyDEVCWMJUQJGENX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.09
Rot. Bonds6

About N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide

N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide (PubChem CID 126833927) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide
PubChem CID126833927
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC NameN-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1nsc2ccccc12)C1CCOC1
InChIInChI=1S/C14H18N2O4S2/c1-19-12(10-6-7-20-8-10)9-22(17,18)16-14-11-4-2-3-5-13(11)21-15-14/h2-5,10,12H,6-9H2,1H3,(H,15,16)
InChIKeyDEVCWMJUQJGENX-UHFFFAOYSA-N
XLogP2.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide
CID 131962123
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide
CID 127266136
2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide
CID 155937652
N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
CID 115684208
3-methoxy-3-(oxolan-3-yl)propan-1-amine
CID 115012480
2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753897
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115720283
N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753895
N-(1,2-benzothiazol-3-yl)-3-methylsulfonylpropanamide
CID 154765756
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 58727038
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide (CID 126833927) is N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide is COC(CS(=O)(=O)Nc1nsc2ccccc12)C1CCOC1.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide?
The InChIKey is DEVCWMJUQJGENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-19-12(10-6-7-20-8-10)9-22(17,18)16-14-11-4-2-3-5-13(11)21-15-14/h2-5,10,12H,6-9H2,1H3,(H,15,16).
What are the key properties of N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide?
N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 126833927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).