2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole

C11H13NS4 — CID 130223994

IUPAC2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole
SMILESSSCC(CSS)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NS4/c13-15-6-9(7-16-14)11-5-8-3-1-2-4-10(8)12-11/h1-5,9,12-14H,6-7H2
InChIKeyFVYLMCRSDPBKJU-UHFFFAOYSA-N
MW287.50 g/mol
LogP4.41
Rot. Bonds5

About 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole

2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole (PubChem CID 130223994) has the molecular formula C11H13NS4 and a molecular weight of 287.50 g/mol. Its IUPAC name is 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole
PubChem CID130223994
Molecular FormulaC11H13NS4
Molecular Weight287.50 g/mol
Exact Mass286.99
IUPAC Name2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole
SMILESSSCC(CSS)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NS4/c13-15-6-9(7-16-14)11-5-8-3-1-2-4-10(8)12-11/h1-5,9,12-14H,6-7H2
InChIKeyFVYLMCRSDPBKJU-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-2-yl)propane-1,3-diamine
CID 46184304
(1R)-3-amino-1-(1H-indol-2-yl)propan-1-ol
CID 96625080
2-amino-1-(1H-indol-2-yl)ethanol
CID 82599143
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
1-(1H-indol-2-yl)prop-2-yn-1-ol
CID 172559122
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
2-(1H-indol-2-yl)propanal
CID 88965178
2-[(2-chlorophenyl)-(1H-indol-2-yl)methyl]-1H-indole
CID 132599095
2-hydroxy-2-(1H-indol-2-yl)acetonitrile
CID 84654386
2-(2-fluoroethyl)-1H-indole
CID 142633825
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
2-bromo-1H-indole
CID 11805631

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole?
The IUPAC name of 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole (CID 130223994) is 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole.
What is the SMILES notation for 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole?
The canonical SMILES for 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole is SSCC(CSS)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole?
The InChIKey is FVYLMCRSDPBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS4/c13-15-6-9(7-16-14)11-5-8-3-1-2-4-10(8)12-11/h1-5,9,12-14H,6-7H2.
What are the key properties of 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole?
2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole has a molecular weight of 287.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(disulfanyl)propan-2-yl]-1H-indole is sourced from PubChem (CID 130223994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).