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

C11H20N4S — CID 142522589

IUPACethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
SMILESC=CN.CNCc1ccc(SNNC)cc1
InChIInChI=1S/C9H15N3S.C2H5N/c1-10-7-8-3-5-9(6-4-8)13-12-11-2;1-2-3/h3-6,10-12H,7H2,1-2H3;2H,1,3H2
InChIKeyLMQCEJJFHFFFQK-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.23
Rot. Bonds5

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

ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine (PubChem CID 142522589) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Nameethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
PubChem CID142522589
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Nameethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
SMILESC=CN.CNCc1ccc(SNNC)cc1
InChIInChI=1S/C9H15N3S.C2H5N/c1-10-7-8-3-5-9(6-4-8)13-12-11-2;1-2-3/h3-6,10-12H,7H2,1-2H3;2H,1,3H2
InChIKeyLMQCEJJFHFFFQK-UHFFFAOYSA-N
XLogP1.23
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

4-(Methylaminomethyl)benzenethiol
CID 89109154
4-[(E)-1-amino-2-(methylamino)ethenyl]benzenethiol
CID 130323898
N-methyl-4-(methylaminomethyl)benzenesulfinamide
CID 134550003
N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide
CID 134550277
S-[4-[(tert-butylamino)methyl]phenyl]thiohydroxylamine
CID 142183829
S-[4-[(dimethylamino)methyl]phenyl]thiohydroxylamine
CID 142522360
4-(Methylaminomethyl)benzenesulfinamide
CID 142522563
N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
CID 142872824
S-[4-(methylaminomethyl)phenyl]thiohydroxylamine
CID 144063084
ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
CID 144618243
Ethane;4-(methylaminomethyl)benzenesulfinamide
CID 144618291
1-[4-(dimethylaminosulfanyl)phenyl]-N-methylmethanamine;ethane
CID 144618412

Frequently Asked Questions

What is the IUPAC name of ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
The IUPAC name of ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine (CID 142522589) is ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine.
What is the SMILES notation for ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
The canonical SMILES for ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine is C=CN.CNCc1ccc(SNNC)cc1.
What is the InChIKey of ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
The InChIKey is LMQCEJJFHFFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.C2H5N/c1-10-7-8-3-5-9(6-4-8)13-12-11-2;1-2-3/h3-6,10-12H,7H2,1-2H3;2H,1,3H2.
What are the key properties of ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine?
ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 142522589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).