N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

C15H22ClN3O3S2 — CID 119939803

IUPACN-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CSCCN1)CC2.Cl
InChIInChI=1S/C15H21N3O3S2.ClH/c1-16-23(20,21)13-3-2-11-4-6-18(14(11)9-13)15(19)8-12-10-22-7-5-17-12;/h2-3,9,12,16-17H,4-8,10H2,1H3;1H
InChIKeyMTQMCNAILCPKAD-UHFFFAOYSA-N
MW391.95 g/mol
LogP1.00
Rot. Bonds4

About N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 119939803) has the molecular formula C15H22ClN3O3S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID119939803
Molecular FormulaC15H22ClN3O3S2
Molecular Weight391.95 g/mol
Exact Mass391.08
IUPAC NameN-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CSCCN1)CC2.Cl
InChIInChI=1S/C15H21N3O3S2.ClH/c1-16-23(20,21)13-3-2-11-4-6-18(14(11)9-13)15(19)8-12-10-22-7-5-17-12;/h2-3,9,12,16-17H,4-8,10H2,1H3;1H
InChIKeyMTQMCNAILCPKAD-UHFFFAOYSA-N
XLogP1.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
CID 119939189
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938532
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939298
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
CID 119939299
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 167752448

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 119939803) is N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CSCCN1)CC2.Cl.
What is the InChIKey of N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is MTQMCNAILCPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2.ClH/c1-16-23(20,21)13-3-2-11-4-6-18(14(11)9-13)15(19)8-12-10-22-7-5-17-12;/h2-3,9,12,16-17H,4-8,10H2,1H3;1H.
What are the key properties of N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119939803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).