5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide

C14H21N3O2S — CID 64850889

IUPAC5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H21N3O2S/c1-3-5-8-17(4-2)20(18,19)14-10-16-13-7-6-11(15)9-12(13)14/h6-7,9-10,16H,3-5,8,15H2,1-2H3
InChIKeyMMVCKYDYLPTWHG-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.56
Rot. Bonds6

About 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide

5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide (PubChem CID 64850889) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
PubChem CID64850889
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H21N3O2S/c1-3-5-8-17(4-2)20(18,19)14-10-16-13-7-6-11(15)9-12(13)14/h6-7,9-10,16H,3-5,8,15H2,1-2H3
InChIKeyMMVCKYDYLPTWHG-UHFFFAOYSA-N
XLogP2.56
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
CID 64850898
5-amino-N-ethyl-N-propyl-1H-indole-3-sulfonamide
CID 64850696
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
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64853043
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
CID 64851686

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide (CID 64850889) is 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide is CCCCN(CC)S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide?
The InChIKey is MMVCKYDYLPTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-5-8-17(4-2)20(18,19)14-10-16-13-7-6-11(15)9-12(13)14/h6-7,9-10,16H,3-5,8,15H2,1-2H3.
What are the key properties of 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide?
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 64850889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).