1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine

C11H19N3S — CID 115260989

IUPAC1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCCSc1ccc(CN(C)CNN)cc1
InChIInChI=1S/C11H19N3S/c1-3-15-11-6-4-10(5-7-11)8-14(2)9-13-12/h4-7,13H,3,8-9,12H2,1-2H3
InChIKeyYOHORBZGILNBNK-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.65
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine

1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine (PubChem CID 115260989) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
PubChem CID115260989
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCCSc1ccc(CN(C)CNN)cc1
InChIInChI=1S/C11H19N3S/c1-3-15-11-6-4-10(5-7-11)8-14(2)9-13-12/h4-7,13H,3,8-9,12H2,1-2H3
InChIKeyYOHORBZGILNBNK-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258729
4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260655
2-[(4-ethylsulfanylphenyl)methyl-methylamino]acetaldehyde
CID 115223107
1-amino-3-[(4-ethylsulfanylphenyl)methyl-methylamino]propan-2-ol
CID 115121529
1-N-[(4-ethylsulfanylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203954
(4-ethylsulfanylphenyl)methanamine
CID 12842467
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]acetic acid
CID 115005512
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
[2-(4-ethylphenyl)-1-(4-ethylsulfanylphenyl)ethyl]hydrazine
CID 106850564
1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
CID 115168679

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine (CID 115260989) is 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine is CCSc1ccc(CN(C)CNN)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The InChIKey is YOHORBZGILNBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-15-11-6-4-10(5-7-11)8-14(2)9-13-12/h4-7,13H,3,8-9,12H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine is sourced from PubChem (CID 115260989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).