N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine

C14H22N2S — CID 143386477

IUPACN-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine
SMILESCN(S)CC1(C(C)(C)C)CNc2ccccc21
InChIInChI=1S/C14H22N2S/c1-13(2,3)14(10-16(4)17)9-15-12-8-6-5-7-11(12)14/h5-8,15,17H,9-10H2,1-4H3
InChIKeyIOURSQIAVMAUBI-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.17
Rot. Bonds2

About N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine

N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine (PubChem CID 143386477) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine
PubChem CID143386477
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine
SMILESCN(S)CC1(C(C)(C)C)CNc2ccccc21
InChIInChI=1S/C14H22N2S/c1-13(2,3)14(10-16(4)17)9-15-12-8-6-5-7-11(12)14/h5-8,15,17H,9-10H2,1-4H3
InChIKeyIOURSQIAVMAUBI-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethyl-1,2-dihydroindol-3-amine
CID 174390026
N,N-dimethyl-2-(3-methyl-1,2-dihydroindol-3-yl)ethanamine;ethane
CID 143140765
3-iodo-3-methyl-1,2-dihydroindole
CID 166899388
3-methyl-3-piperidin-4-yl-1,2-dihydroindole
CID 142892707
2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 58138455
N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide
CID 175055981
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717
3'-methylspiro[1,2-dihydroindole-3,6'-oxazine]-4'-ol
CID 172850033
(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
CID 124635965
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline
CID 139220190

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine?
The IUPAC name of N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine (CID 143386477) is N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine.
What is the SMILES notation for N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine?
The canonical SMILES for N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine is CN(S)CC1(C(C)(C)C)CNc2ccccc21.
What is the InChIKey of N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine?
The InChIKey is IOURSQIAVMAUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-13(2,3)14(10-16(4)17)9-15-12-8-6-5-7-11(12)14/h5-8,15,17H,9-10H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine?
N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine has a molecular weight of 250.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2-dihydroindol-3-yl)methyl]-N-methylthiohydroxylamine is sourced from PubChem (CID 143386477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).