N-methylsulfanyl-1H-indol-5-amine

C9H10N2S — CID 143039504

IUPACN-methylsulfanyl-1H-indol-5-amine
SMILESCSNc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H10N2S/c1-12-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10-11H,1H3
InChIKeyOEFKUKRYAVJCPS-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.86
Rot. Bonds2

About N-methylsulfanyl-1H-indol-5-amine

N-methylsulfanyl-1H-indol-5-amine (PubChem CID 143039504) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-methylsulfanyl-1H-indol-5-amine.

Molecular Properties

Compound NameN-methylsulfanyl-1H-indol-5-amine
PubChem CID143039504
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC NameN-methylsulfanyl-1H-indol-5-amine
SMILESCSNc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H10N2S/c1-12-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10-11H,1H3
InChIKeyOEFKUKRYAVJCPS-UHFFFAOYSA-N
XLogP2.86
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
N,N-diethylethanamine;N-methyl-1H-indol-5-amine
CID 142890112
2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
CID 82538440
5-(dimethylsulfamoylamino)-1H-indole
CID 22611354
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
N-(1H-indol-5-ylsulfanyl)methanamine
CID 174246127
5-(sulfamoylamino)-1H-indole
CID 112573166
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
5-methylsulfanyloxy-1H-indole
CID 139836435
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1H-indol-5-amine?
The IUPAC name of N-methylsulfanyl-1H-indol-5-amine (CID 143039504) is N-methylsulfanyl-1H-indol-5-amine.
What is the SMILES notation for N-methylsulfanyl-1H-indol-5-amine?
The canonical SMILES for N-methylsulfanyl-1H-indol-5-amine is CSNc1ccc2[nH]ccc2c1.
What is the InChIKey of N-methylsulfanyl-1H-indol-5-amine?
The InChIKey is OEFKUKRYAVJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-12-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10-11H,1H3.
What are the key properties of N-methylsulfanyl-1H-indol-5-amine?
N-methylsulfanyl-1H-indol-5-amine has a molecular weight of 178.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1H-indol-5-amine is sourced from PubChem (CID 143039504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).