1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one

C10H12N2OS — CID 115227603

IUPAC1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NCS)ccc21
InChIInChI=1S/C10H12N2OS/c1-12-9-3-2-8(11-6-14)4-7(9)5-10(12)13/h2-4,11,14H,5-6H2,1H3
InChIKeyYSYAJORXQAUSGH-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.50
Rot. Bonds2

About 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one

1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one (PubChem CID 115227603) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
PubChem CID115227603
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NCS)ccc21
InChIInChI=1S/C10H12N2OS/c1-12-9-3-2-8(11-6-14)4-7(9)5-10(12)13/h2-4,11,14H,5-6H2,1H3
InChIKeyYSYAJORXQAUSGH-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
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-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
CID 115207235
5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
CID 115218869
1-methyl-5-(2-morpholin-4-ylethylamino)-3H-indol-2-one
CID 98033832
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one
CID 115117780
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one (CID 115227603) is 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one is CN1C(=O)Cc2cc(NCS)ccc21.
What is the InChIKey of 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one?
The InChIKey is YSYAJORXQAUSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-12-9-3-2-8(11-6-14)4-7(9)5-10(12)13/h2-4,11,14H,5-6H2,1H3.
What are the key properties of 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one?
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one has a molecular weight of 208.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one is sourced from PubChem (CID 115227603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).