N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine

C9H14N2S — CID 142872824

IUPACN-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
SMILESCNCc1ccc(SNC)cc1
InChIInChI=1S/C9H14N2S/c1-10-7-8-3-5-9(6-4-8)12-11-2/h3-6,10-11H,7H2,1-2H3
InChIKeyTZEYCRKNIGPKQZ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine

N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine (PubChem CID 142872824) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
PubChem CID142872824
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
SMILESCNCc1ccc(SNC)cc1
InChIInChI=1S/C9H14N2S/c1-10-7-8-3-5-9(6-4-8)12-11-2/h3-6,10-11H,7H2,1-2H3
InChIKeyTZEYCRKNIGPKQZ-UHFFFAOYSA-N
XLogP1.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine (CID 142872824) is N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine is CNCc1ccc(SNC)cc1.
What is the InChIKey of N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
The InChIKey is TZEYCRKNIGPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10-7-8-3-5-9(6-4-8)12-11-2/h3-6,10-11H,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine is sourced from PubChem (CID 142872824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).