5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide

C13H17N3O2S — CID 64850304

IUPAC5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H17N3O2S/c1-16(8-9-2-3-9)19(17,18)13-7-15-12-5-4-10(14)6-11(12)13/h4-7,9,15H,2-3,8,14H2,1H3
InChIKeyABVOJGDXKUIODV-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.78
Rot. Bonds4

About 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide

5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide (PubChem CID 64850304) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
PubChem CID64850304
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C13H17N3O2S/c1-16(8-9-2-3-9)19(17,18)13-7-15-12-5-4-10(14)6-11(12)13/h4-7,9,15H,2-3,8,14H2,1H3
InChIKeyABVOJGDXKUIODV-UHFFFAOYSA-N
XLogP1.78
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
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-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide (CID 64850304) is 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide is CN(CC1CC1)S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide?
The InChIKey is ABVOJGDXKUIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16(8-9-2-3-9)19(17,18)13-7-15-12-5-4-10(14)6-11(12)13/h4-7,9,15H,2-3,8,14H2,1H3.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide?
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 64850304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).