N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C15H18N2O2S2 — CID 110716108

IUPACN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(CCc1nccs1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O2S2/c1-17(9-7-15-16-8-10-20-15)21(18,19)14-6-5-12-3-2-4-13(12)11-14/h5-6,8,10-11H,2-4,7,9H2,1H3
InChIKeyMHKOEJYSZOTSHQ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110716108) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110716108
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(CCc1nccs1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O2S2/c1-17(9-7-15-16-8-10-20-15)21(18,19)14-6-5-12-3-2-4-13(12)11-14/h5-6,8,10-11H,2-4,7,9H2,1H3
InChIKeyMHKOEJYSZOTSHQ-UHFFFAOYSA-N
XLogP2.49
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
4-methyl-N-[(Z)-1,3-thiazol-2-ylmethylideneamino]benzenesulfonamide
CID 5716399
4-methyl-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 51102101
1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 75437734
2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 84587594
2-[(3S)-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,3-thiazole
CID 99134685
2-[(3R)-1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,3-thiazole
CID 99134686
2-[1-(4-Fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289831
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715760
4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716065
4-fluoro-N,2-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716066
1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 110716088

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110716108) is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is CN(CCc1nccs1)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is MHKOEJYSZOTSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-17(9-7-15-16-8-10-20-15)21(18,19)14-6-5-12-3-2-4-13(12)11-14/h5-6,8,10-11H,2-4,7,9H2,1H3.
What are the key properties of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110716108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).