N-methyl-2-(propylaminosulfanyl)aniline

C10H16N2S — CID 145123235

IUPACN-methyl-2-(propylaminosulfanyl)aniline
SMILESCCCNSc1ccccc1NC
InChIInChI=1S/C10H16N2S/c1-3-8-12-13-10-7-5-4-6-9(10)11-2/h4-7,11-12H,3,8H2,1-2H3
InChIKeyZZTBULHUPZUQHF-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-2-(propylaminosulfanyl)aniline

N-methyl-2-(propylaminosulfanyl)aniline (PubChem CID 145123235) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-methyl-2-(propylaminosulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(propylaminosulfanyl)aniline
PubChem CID145123235
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-methyl-2-(propylaminosulfanyl)aniline
SMILESCCCNSc1ccccc1NC
InChIInChI=1S/C10H16N2S/c1-3-8-12-13-10-7-5-4-6-9(10)11-2/h4-7,11-12H,3,8H2,1-2H3
InChIKeyZZTBULHUPZUQHF-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylaminosulfanyl)aniline?
The IUPAC name of N-methyl-2-(propylaminosulfanyl)aniline (CID 145123235) is N-methyl-2-(propylaminosulfanyl)aniline.
What is the SMILES notation for N-methyl-2-(propylaminosulfanyl)aniline?
The canonical SMILES for N-methyl-2-(propylaminosulfanyl)aniline is CCCNSc1ccccc1NC.
What is the InChIKey of N-methyl-2-(propylaminosulfanyl)aniline?
The InChIKey is ZZTBULHUPZUQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-8-12-13-10-7-5-4-6-9(10)11-2/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of N-methyl-2-(propylaminosulfanyl)aniline?
N-methyl-2-(propylaminosulfanyl)aniline has a molecular weight of 196.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylaminosulfanyl)aniline is sourced from PubChem (CID 145123235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).