N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide

C16H23N3O3S2 — CID 119939189

IUPACN,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CSCCN1)CC2
InChIInChI=1S/C16H23N3O3S2/c1-18(2)24(21,22)14-4-3-12-5-7-19(15(12)10-14)16(20)9-13-11-23-8-6-17-13/h3-4,10,13,17H,5-9,11H2,1-2H3
InChIKeyGKAROFXTZURZPE-UHFFFAOYSA-N
MW369.51 g/mol
LogP0.92
Rot. Bonds4

About N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide

N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 119939189) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID119939189
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CSCCN1)CC2
InChIInChI=1S/C16H23N3O3S2/c1-18(2)24(21,22)14-4-3-12-5-7-19(15(12)10-14)16(20)9-13-11-23-8-6-17-13/h3-4,10,13,17H,5-9,11H2,1-2H3
InChIKeyGKAROFXTZURZPE-UHFFFAOYSA-N
XLogP0.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide (CID 119939189) is N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CSCCN1)CC2.
What is the InChIKey of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is GKAROFXTZURZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-18(2)24(21,22)14-4-3-12-5-7-19(15(12)10-14)16(20)9-13-11-23-8-6-17-13/h3-4,10,13,17H,5-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide?
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 369.51 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 119939189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).