N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide

C13H18N2S — CID 19686661

IUPACN-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCc2ccccc21
InChIInChI=1S/C13H18N2S/c1-10(2)9-14-13(16)15-8-7-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H,14,16)
InChIKeyUYTJNLDZMMTQAU-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.58
Rot. Bonds2

About N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide

N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide (PubChem CID 19686661) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
PubChem CID19686661
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCc2ccccc21
InChIInChI=1S/C13H18N2S/c1-10(2)9-14-13(16)15-8-7-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H,14,16)
InChIKeyUYTJNLDZMMTQAU-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.58
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

3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612179
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4778898
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 2390455
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
CID 108958049
N-cyclopentyl-2,3-dihydroindole-1-carbothioamide
CID 19686662
methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
2-(2,3-dihydroindol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8704309
ethyl 4-(2,3-dihydroindole-1-carbothioylamino)benzoate
CID 3516952

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide (CID 19686661) is N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide is CC(C)CNC(=S)N1CCc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide?
The InChIKey is UYTJNLDZMMTQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10(2)9-14-13(16)15-8-7-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide?
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide has a molecular weight of 234.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 19686661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).