5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide

C14H19N3O2S — CID 64851686

IUPAC5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H19N3O2S/c1-9-5-10(9)8-17(2)20(18,19)14-7-16-13-4-3-11(15)6-12(13)14/h3-4,6-7,9-10,16H,5,8,15H2,1-2H3
InChIKeyWHBJFZYDADFUGV-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.03
Rot. Bonds4

About 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide

5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide (PubChem CID 64851686) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
PubChem CID64851686
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H19N3O2S/c1-9-5-10(9)8-17(2)20(18,19)14-7-16-13-4-3-11(15)6-12(13)14/h3-4,6-7,9-10,16H,5,8,15H2,1-2H3
InChIKeyWHBJFZYDADFUGV-UHFFFAOYSA-N
XLogP2.03
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.03
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-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
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-ethyl-N-propyl-1H-indole-3-sulfonamide
CID 64850696
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
CID 64850889
1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63877718
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide
CID 66000148
5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
CID 64850898
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
CID 83218690

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide (CID 64851686) is 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide is CC1CC1CN(C)S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide?
The InChIKey is WHBJFZYDADFUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-5-10(9)8-17(2)20(18,19)14-7-16-13-4-3-11(15)6-12(13)14/h3-4,6-7,9-10,16H,5,8,15H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide?
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 64851686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).