5-phenylsulfanyl-1H-indol-6-amine

C14H12N2S — CID 57126172

IUPAC5-phenylsulfanyl-1H-indol-6-amine
SMILESNc1cc2[nH]ccc2cc1Sc1ccccc1
InChIInChI=1S/C14H12N2S/c15-12-9-13-10(6-7-16-13)8-14(12)17-11-4-2-1-3-5-11/h1-9,16H,15H2
InChIKeySKYDGTLMNDVSQF-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.90
Rot. Bonds2

About 5-phenylsulfanyl-1H-indol-6-amine

5-phenylsulfanyl-1H-indol-6-amine (PubChem CID 57126172) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-phenylsulfanyl-1H-indol-6-amine.

Molecular Properties

Compound Name5-phenylsulfanyl-1H-indol-6-amine
PubChem CID57126172
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name5-phenylsulfanyl-1H-indol-6-amine
SMILESNc1cc2[nH]ccc2cc1Sc1ccccc1
InChIInChI=1S/C14H12N2S/c15-12-9-13-10(6-7-16-13)8-14(12)17-11-4-2-1-3-5-11/h1-9,16H,15H2
InChIKeySKYDGTLMNDVSQF-UHFFFAOYSA-N
XLogP3.90
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,5-bis(phenylsulfanyl)aniline
CID 14765109
4-phenylsulfanylnaphthalen-1-amine
CID 21454455
5,6-diphenyl-1H-indole
CID 174399063
5-phenylsulfanylbenzene-1,2,3,4-tetramine
CID 139667343
5-amino-1H-indole-6-carboxylic acid
CID 117273186
4-(4-aminophenyl)-2-phenylsulfanylaniline
CID 68786659
5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 59128709
4-amino-6-phenylsulfanylbenzene-1,3-disulfonamide
CID 121003354
3-amino-4-phenylsulfanylbenzoic acid
CID 12590364
7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43450016
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045
4-phenyl-3-phenylsulfanylaniline
CID 68787885

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-1H-indol-6-amine?
The IUPAC name of 5-phenylsulfanyl-1H-indol-6-amine (CID 57126172) is 5-phenylsulfanyl-1H-indol-6-amine.
What is the SMILES notation for 5-phenylsulfanyl-1H-indol-6-amine?
The canonical SMILES for 5-phenylsulfanyl-1H-indol-6-amine is Nc1cc2[nH]ccc2cc1Sc1ccccc1.
What is the InChIKey of 5-phenylsulfanyl-1H-indol-6-amine?
The InChIKey is SKYDGTLMNDVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-12-9-13-10(6-7-16-13)8-14(12)17-11-4-2-1-3-5-11/h1-9,16H,15H2.
What are the key properties of 5-phenylsulfanyl-1H-indol-6-amine?
5-phenylsulfanyl-1H-indol-6-amine has a molecular weight of 240.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-1H-indol-6-amine is sourced from PubChem (CID 57126172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).