methyl(thiophen-3-ylmethyl)azanium chloride

C6H10ClNS — CID 44630948

IUPACmethyl(thiophen-3-ylmethyl)azanium chloride
SMILESC[NH2+]Cc1ccsc1.[Cl-]
InChIInChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H
InChIKeyIPUQNHJAEFPRMV-UHFFFAOYSA-N
MW163.67 g/mol
LogP-2.55
Rot. Bonds2

About methyl(thiophen-3-ylmethyl)azanium chloride

methyl(thiophen-3-ylmethyl)azanium chloride (PubChem CID 44630948) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is methyl(thiophen-3-ylmethyl)azanium chloride.

Molecular Properties

Compound Namemethyl(thiophen-3-ylmethyl)azanium chloride
PubChem CID44630948
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC Namemethyl(thiophen-3-ylmethyl)azanium chloride
SMILESC[NH2+]Cc1ccsc1.[Cl-]
InChIInChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H
InChIKeyIPUQNHJAEFPRMV-UHFFFAOYSA-N
XLogP-2.55
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 5-2.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze methyl(thiophen-3-ylmethyl)azanium chloride 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

azane;3-propylthiophene
CID 174446539
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
CID 8622999
3-(propan-2-yloxymethyl)thiophene
CID 146745191
3-(2-ethylbutyl)thiophene
CID 89133993
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
CID 66229730
2-(3,4-dimethoxyphenyl)ethyl-(thiophen-3-ylmethyl)azanium
CID 7263987
3-heptylthiophene;3-hexylthiophene
CID 159152668
3-(isocyanomethyl)thiophene
CID 4536058
3-(2,2-dibromoethyl)thiophene
CID 174416053

Frequently Asked Questions

What is the IUPAC name of methyl(thiophen-3-ylmethyl)azanium chloride?
The IUPAC name of methyl(thiophen-3-ylmethyl)azanium chloride (CID 44630948) is methyl(thiophen-3-ylmethyl)azanium chloride.
What is the SMILES notation for methyl(thiophen-3-ylmethyl)azanium chloride?
The canonical SMILES for methyl(thiophen-3-ylmethyl)azanium chloride is C[NH2+]Cc1ccsc1.[Cl-].
What is the InChIKey of methyl(thiophen-3-ylmethyl)azanium chloride?
The InChIKey is IPUQNHJAEFPRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H.
What are the key properties of methyl(thiophen-3-ylmethyl)azanium chloride?
methyl(thiophen-3-ylmethyl)azanium chloride has a molecular weight of 163.67 g/mol, XLogP of -2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(thiophen-3-ylmethyl)azanium chloride is sourced from PubChem (CID 44630948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).