N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide

C12H14N2OS — CID 125489947

IUPACN-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide
SMILESCNC(=O)C[C@@]1(C)C(=S)Nc2ccccc21
InChIInChI=1S/C12H14N2OS/c1-12(7-10(15)13-2)8-5-3-4-6-9(8)14-11(12)16/h3-6H,7H2,1-2H3,(H,13,15)(H,14,16)/t12-/m1/s1
InChIKeyKXKRTBOVNSLJIV-GFCCVEGCSA-N
MW234.32 g/mol
LogP1.83
Rot. Bonds2

About N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide

N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide (PubChem CID 125489947) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide
PubChem CID125489947
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide
SMILESCNC(=O)C[C@@]1(C)C(=S)Nc2ccccc21
InChIInChI=1S/C12H14N2OS/c1-12(7-10(15)13-2)8-5-3-4-6-9(8)14-11(12)16/h3-6H,7H2,1-2H3,(H,13,15)(H,14,16)/t12-/m1/s1
InChIKeyKXKRTBOVNSLJIV-GFCCVEGCSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3S)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetate
CID 125489935
N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide
CID 102503587
9-ethyl-9-methyl-10H-acridine
CID 22754271
1-(1-methyl-2,3-dihydroinden-1-yl)piperidine;N-methyl-2-(3-methyl-2-oxo-1H-indol-3-yl)acetamide
CID 144663004
N-methyl-2-(3-methyl-2-oxo-1-piperidin-4-ylindol-3-yl)acetamide
CID 90259654
spiro[1H-indole-3,1'-cyclopropane]-2-thione
CID 169168280
N-(3-methyl-2-oxo-1H-indol-3-yl)propanamide
CID 148811384
1,2,2a,8b-tetramethyl-4H-cyclobuta[c]quinoline-3-thione
CID 3398163
1-(9-methyl-10H-acridin-9-yl)ethanone
CID 162143762
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
(9-phenyl-10H-acridin-9-yl) propanoate
CID 14400641
methyl 4-methyl-2-oxo-1H-3,1-benzoxazine-4-carboxylate
CID 71502137

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide (CID 125489947) is N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide is CNC(=O)C[C@@]1(C)C(=S)Nc2ccccc21.
What is the InChIKey of N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide?
The InChIKey is KXKRTBOVNSLJIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-12(7-10(15)13-2)8-5-3-4-6-9(8)14-11(12)16/h3-6H,7H2,1-2H3,(H,13,15)(H,14,16)/t12-/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide?
N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide has a molecular weight of 234.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide is sourced from PubChem (CID 125489947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).