5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide

C13H21N3O2S — CID 43551056

IUPAC5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C13H21N3O2S/c1-4-15(5-2)19(17,18)16-10(3)8-11-9-12(14)6-7-13(11)16/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyBHOXLJHSHGQLJZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.61
Rot. Bonds4

About 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide

5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide (PubChem CID 43551056) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide
PubChem CID43551056
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C13H21N3O2S/c1-4-15(5-2)19(17,18)16-10(3)8-11-9-12(14)6-7-13(11)16/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyBHOXLJHSHGQLJZ-UHFFFAOYSA-N
XLogP1.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide (CID 43551056) is 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide is CCN(CC)S(=O)(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide?
The InChIKey is BHOXLJHSHGQLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-15(5-2)19(17,18)16-10(3)8-11-9-12(14)6-7-13(11)16/h6-7,9-10H,4-5,8,14H2,1-3H3.
What are the key properties of 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide?
5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-2-methyl-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 43551056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).