1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one

C13H18N2OS — CID 115228405

IUPAC1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
SMILESCN(CS)CCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H18N2OS/c1-14(9-17)6-5-10-3-4-12-11(7-10)8-13(16)15(12)2/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyDPLNQIMILOEBNM-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.57
Rot. Bonds4

About 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one

1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one (PubChem CID 115228405) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
PubChem CID115228405
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
SMILESCN(CS)CCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H18N2OS/c1-14(9-17)6-5-10-3-4-12-11(7-10)8-13(16)15(12)2/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyDPLNQIMILOEBNM-UHFFFAOYSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115169226
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one (CID 115228405) is 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one is CN(CS)CCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one?
The InChIKey is DPLNQIMILOEBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14(9-17)6-5-10-3-4-12-11(7-10)8-13(16)15(12)2/h3-4,7,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one?
1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one has a molecular weight of 250.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one is sourced from PubChem (CID 115228405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).