N-(1H-indol-5-ylsulfanyl)methanamine

C9H10N2S — CID 174246127

IUPACN-(1H-indol-5-ylsulfanyl)methanamine
SMILESCNSc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H10N2S/c1-10-12-8-2-3-9-7(6-8)4-5-11-9/h2-6,10-11H,1H3
InChIKeyNBNSBYDGIODTBF-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.39
Rot. Bonds2

About N-(1H-indol-5-ylsulfanyl)methanamine

N-(1H-indol-5-ylsulfanyl)methanamine (PubChem CID 174246127) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(1H-indol-5-ylsulfanyl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylsulfanyl)methanamine
PubChem CID174246127
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC NameN-(1H-indol-5-ylsulfanyl)methanamine
SMILESCNSc1ccc2[nH]ccc2c1
InChIInChI=1S/C9H10N2S/c1-10-12-8-2-3-9-7(6-8)4-5-11-9/h2-6,10-11H,1H3
InChIKeyNBNSBYDGIODTBF-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-methylsulfanyl-1H-indol-5-amine
CID 143039504
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
CID 58930948
CID 58930948
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
5-methylsulfanyloxy-1H-indole
CID 139836435
N,N-dimethyl-1H-indol-5-amine
CID 23274
5-propan-2-yl-1H-indole
CID 10558918
N,N-diethylethanamine;N-methyl-1H-indol-5-amine
CID 142890112
3-(1H-indol-5-yl)-N-methylaniline
CID 116996135
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
ethane;5-fluoro-1H-indole;molecular hydrogen
CID 144540127
1H-indol-5-ylazanide;tungsten
CID 155742475

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylsulfanyl)methanamine?
The IUPAC name of N-(1H-indol-5-ylsulfanyl)methanamine (CID 174246127) is N-(1H-indol-5-ylsulfanyl)methanamine.
What is the SMILES notation for N-(1H-indol-5-ylsulfanyl)methanamine?
The canonical SMILES for N-(1H-indol-5-ylsulfanyl)methanamine is CNSc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylsulfanyl)methanamine?
The InChIKey is NBNSBYDGIODTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-10-12-8-2-3-9-7(6-8)4-5-11-9/h2-6,10-11H,1H3.
What are the key properties of N-(1H-indol-5-ylsulfanyl)methanamine?
N-(1H-indol-5-ylsulfanyl)methanamine has a molecular weight of 178.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylsulfanyl)methanamine is sourced from PubChem (CID 174246127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).