2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol

C12H20N2S — CID 145296719

IUPAC2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol
SMILESCC(C)(C)S.Nc1ccc2c(c1)NCC2
InChIInChI=1S/C8H10N2.C4H10S/c9-7-2-1-6-3-4-10-8(6)5-7;1-4(2,3)5/h1-2,5,10H,3-4,9H2;5H,1-3H3
InChIKeyUFLWCUVIYWRHCC-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.95
Rot. Bonds

About 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol

2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol (PubChem CID 145296719) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol
PubChem CID145296719
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol
SMILESCC(C)(C)S.Nc1ccc2c(c1)NCC2
InChIInChI=1S/C8H10N2.C4H10S/c9-7-2-1-6-3-4-10-8(6)5-7;1-4(2,3)5/h1-2,5,10H,3-4,9H2;5H,1-3H3
InChIKeyUFLWCUVIYWRHCC-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-tetrahydro-1H-1-benzazepin-8-amine
CID 18444221
3-methylaniline;1,2,3,4-tetrahydroquinolin-7-amine
CID 174805815
6-bromo-2,3-dihydro-1H-indole
CID 13098379
N-(2,3-dihydro-1H-indol-6-ylmethyl)-N,2,2-trimethylpropan-1-amine
CID 113382557
1-(2,3-dihydro-1H-indol-6-yl)ethanol
CID 84651673
2,3-dihydro-1H-indole-6-sulfinamide
CID 170593391
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
spiro[3,4-dihydro-1H-quinoline-2,1'-cyclopropane]-7-amine
CID 155894980
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide
CID 91982951
N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 104828898

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol?
The IUPAC name of 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol (CID 145296719) is 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol?
The canonical SMILES for 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol is CC(C)(C)S.Nc1ccc2c(c1)NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol?
The InChIKey is UFLWCUVIYWRHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C4H10S/c9-7-2-1-6-3-4-10-8(6)5-7;1-4(2,3)5/h1-2,5,10H,3-4,9H2;5H,1-3H3.
What are the key properties of 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol?
2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol has a molecular weight of 224.37 g/mol, XLogP of 2.95, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-6-amine;2-methylpropane-2-thiol is sourced from PubChem (CID 145296719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).