N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine

C9H15N3S — CID 142522590

IUPACN-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
SMILESCNCc1ccc(SNNC)cc1
InChIInChI=1S/C9H15N3S/c1-10-7-8-3-5-9(6-4-8)13-12-11-2/h3-6,10-12H,7H2,1-2H3
InChIKeyKGNOSJZTEZLOEC-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.14
Rot. Bonds5

About N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine

N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine (PubChem CID 142522590) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
PubChem CID142522590
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
SMILESCNCc1ccc(SNNC)cc1
InChIInChI=1S/C9H15N3S/c1-10-7-8-3-5-9(6-4-8)13-12-11-2/h3-6,10-12H,7H2,1-2H3
InChIKeyKGNOSJZTEZLOEC-UHFFFAOYSA-N
XLogP1.14
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine (CID 142522590) is N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine is CNCc1ccc(SNNC)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
The InChIKey is KGNOSJZTEZLOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-7-8-3-5-9(6-4-8)13-12-11-2/h3-6,10-12H,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 142522590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).