(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide

C13H16N2S — CID 8619560

IUPAC(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESC[C@@H]1Cc2ccccc2N1C(=S)NC1CC1
InChIInChI=1S/C13H16N2S/c1-9-8-10-4-2-3-5-12(10)15(9)13(16)14-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyMKNUWAZVFTUICI-SECBINFHSA-N
MW232.35 g/mol
LogP2.47
Rot. Bonds1

About (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide

(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide (PubChem CID 8619560) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
PubChem CID8619560
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESC[C@@H]1Cc2ccccc2N1C(=S)NC1CC1
InChIInChI=1S/C13H16N2S/c1-9-8-10-4-2-3-5-12(10)15(9)13(16)14-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyMKNUWAZVFTUICI-SECBINFHSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686679
N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17269034
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
CID 46800236
(2R)-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-1-carbothioamide
CID 40576503
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
CID 2374481
N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 116508561
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 95640677

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide (CID 8619560) is (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide is C[C@@H]1Cc2ccccc2N1C(=S)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
The InChIKey is MKNUWAZVFTUICI-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-8-10-4-2-3-5-12(10)15(9)13(16)14-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide has a molecular weight of 232.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 8619560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).