tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium

C14H19NO2S — CID 174157420

IUPACtert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
SMILESCOc1cccc2c1C(=N[S+]([O-])C(C)(C)C)CC2
InChIInChI=1S/C14H19NO2S/c1-14(2,3)18(16)15-11-9-8-10-6-5-7-12(17-4)13(10)11/h5-7H,8-9H2,1-4H3
InChIKeyZDRLPCOORFCUKQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium

tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium (PubChem CID 174157420) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
PubChem CID174157420
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Nametert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
SMILESCOc1cccc2c1C(=N[S+]([O-])C(C)(C)C)CC2
InChIInChI=1S/C14H19NO2S/c1-14(2,3)18(16)15-11-9-8-10-6-5-7-12(17-4)13(10)11/h5-7H,8-9H2,1-4H3
InChIKeyZDRLPCOORFCUKQ-UHFFFAOYSA-N
XLogP2.89
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(4-fluoro-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
CID 174157399
(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
CID 115057448
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057497
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1,3-dimethoxybenzene
CID 175946392
(NZ)-N-(7-phenoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 10586072
ethane;4,5,9,10-tetrahydropyrene
CID 157285426
3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706
4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 151156491
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989
2-(8-methoxy-3,4-dihydronaphthalen-2-yl)-N-methylpropan-2-amine
CID 105490126

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium (CID 174157420) is tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium is COc1cccc2c1C(=N[S+]([O-])C(C)(C)C)CC2.
What is the InChIKey of tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium?
The InChIKey is ZDRLPCOORFCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-14(2,3)18(16)15-11-9-8-10-6-5-7-12(17-4)13(10)11/h5-7H,8-9H2,1-4H3.
What are the key properties of tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium?
tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium has a molecular weight of 265.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium is sourced from PubChem (CID 174157420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).