N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine

C12H18N2S — CID 177146854

IUPACN-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NSc1ccc2c(c1)CCN2
InChIInChI=1S/C12H18N2S/c1-12(2,3)14-15-10-4-5-11-9(8-10)6-7-13-11/h4-5,8,13-14H,6-7H2,1-3H3
InChIKeyBZLJOORKEJENMX-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.05
Rot. Bonds2

About N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine

N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine (PubChem CID 177146854) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine
PubChem CID177146854
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NSc1ccc2c(c1)CCN2
InChIInChI=1S/C12H18N2S/c1-12(2,3)14-15-10-4-5-11-9(8-10)6-7-13-11/h4-5,8,13-14H,6-7H2,1-3H3
InChIKeyBZLJOORKEJENMX-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole
CID 22498835
5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole
CID 176938208
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(2,3-dihydro-1H-indol-5-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144156
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525
5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
CID 115074571
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole
CID 84699877

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine (CID 177146854) is N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine is CC(C)(C)NSc1ccc2c(c1)CCN2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine?
The InChIKey is BZLJOORKEJENMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-12(2,3)14-15-10-4-5-11-9(8-10)6-7-13-11/h4-5,8,13-14H,6-7H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine?
N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine has a molecular weight of 222.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine is sourced from PubChem (CID 177146854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).