1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride

C16H26ClN3O3S — CID 119785912

IUPAC1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-5-9-16(2,17)15(20)19-10-8-12-6-7-13(11-14(12)19)23(21,22)18(3)4;/h6-7,11H,5,8-10,17H2,1-4H3;1H
InChIKeyBPGDGYTUGKPFRQ-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.77
Rot. Bonds5

About 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 119785912) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID119785912
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-5-9-16(2,17)15(20)19-10-8-12-6-7-13(11-14(12)19)23(21,22)18(3)4;/h6-7,11H,5,8-10,17H2,1-4H3;1H
InChIKeyBPGDGYTUGKPFRQ-UHFFFAOYSA-N
XLogP1.77
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
CID 119706877
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120932755
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066
N,N-dimethyl-1-(morpholine-2-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785904
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86956997
N,N-dimethyl-1-[2-(2-propan-2-ylphenoxy)butanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86957000
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
CID 119939189
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769570
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 56805828
N,N-dimethyl-1-(morpholine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785866

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 119785912) is 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride is CCCC(C)(N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21.Cl.
What is the InChIKey of 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is BPGDGYTUGKPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-5-9-16(2,17)15(20)19-10-8-12-6-7-13(11-14(12)19)23(21,22)18(3)4;/h6-7,11H,5,8-10,17H2,1-4H3;1H.
What are the key properties of 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119785912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).