3-(2,5-dimethylphenyl)sulfanylpentanimidamide

C13H20N2S — CID 43175421

IUPAC3-(2,5-dimethylphenyl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1cc(C)ccc1C
InChIInChI=1S/C13H20N2S/c1-4-11(8-13(14)15)16-12-7-9(2)5-6-10(12)3/h5-7,11H,4,8H2,1-3H3,(H3,14,15)
InChIKeyURJUGLLLXDUKCJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.50
Rot. Bonds5

About 3-(2,5-dimethylphenyl)sulfanylpentanimidamide

3-(2,5-dimethylphenyl)sulfanylpentanimidamide (PubChem CID 43175421) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfanylpentanimidamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfanylpentanimidamide
PubChem CID43175421
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-(2,5-dimethylphenyl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1cc(C)ccc1C
InChIInChI=1S/C13H20N2S/c1-4-11(8-13(14)15)16-12-7-9(2)5-6-10(12)3/h5-7,11H,4,8H2,1-3H3,(H3,14,15)
InChIKeyURJUGLLLXDUKCJ-UHFFFAOYSA-N
XLogP3.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(2,5-dimethylphenyl)sulfanylpentanimidamide 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

3-(2-methoxyphenyl)sulfanylpentanimidamide
CID 61291683
3-pyrimidin-4-ylsulfanylpentanimidamide
CID 63695864
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
3-(1-methyltetrazol-5-yl)sulfanylpentanimidamide
CID 43369005
3-(3,4-dimethylphenoxy)pentanimidamide
CID 43368304
3-(3-methylphenoxy)pentanimidamide
CID 43368318
1-(2,5-dimethylphenyl)sulfanylethanamine
CID 117032475
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 43174989
3-(2-fluoro-5-methylphenoxy)propanimidamide
CID 64853456
S-(2,5-dimethylphenyl) carbamothioate
CID 117035966

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfanylpentanimidamide?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfanylpentanimidamide (CID 43175421) is 3-(2,5-dimethylphenyl)sulfanylpentanimidamide.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfanylpentanimidamide?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfanylpentanimidamide is [H]/N=C(\N)CC(CC)Sc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfanylpentanimidamide?
The InChIKey is URJUGLLLXDUKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-4-11(8-13(14)15)16-12-7-9(2)5-6-10(12)3/h5-7,11H,4,8H2,1-3H3,(H3,14,15).
What are the key properties of 3-(2,5-dimethylphenyl)sulfanylpentanimidamide?
3-(2,5-dimethylphenyl)sulfanylpentanimidamide has a molecular weight of 236.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfanylpentanimidamide is sourced from PubChem (CID 43175421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).