6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide

C14H22N4O2S — CID 66000148

IUPAC6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C14H22N4O2S/c1-17(2)7-4-8-18(3)21(19,20)14-10-16-13-9-11(15)5-6-12(13)14/h5-6,9-10,16H,4,7-8,15H2,1-3H3
InChIKeyVTMAJJFJXICLCX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.32
Rot. Bonds6

About 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide

6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide (PubChem CID 66000148) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide
PubChem CID66000148
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C14H22N4O2S/c1-17(2)7-4-8-18(3)21(19,20)14-10-16-13-9-11(15)5-6-12(13)14/h5-6,9-10,16H,4,7-8,15H2,1-3H3
InChIKeyVTMAJJFJXICLCX-UHFFFAOYSA-N
XLogP1.32
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 81053511
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64853043
6-amino-N-ethyl-N-(2-methoxyethyl)-1H-indole-3-sulfonamide
CID 66000340
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
CID 64853040
4-amino-2-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 102931253
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
CID 64851686
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
CID 64850889
5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 63693578
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
5-amino-N-ethyl-N-propyl-1H-indole-3-sulfonamide
CID 64850696

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide (CID 66000148) is 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide is CN(C)CCCN(C)S(=O)(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide?
The InChIKey is VTMAJJFJXICLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-17(2)7-4-8-18(3)21(19,20)14-10-16-13-9-11(15)5-6-12(13)14/h5-6,9-10,16H,4,7-8,15H2,1-3H3.
What are the key properties of 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide?
6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 66000148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).