methanidyl(1-thiophen-3-ylethyl)azanium

C7H11NS — CID 59297819

IUPACmethanidyl(1-thiophen-3-ylethyl)azanium
SMILES[CH2-][NH2+]C(C)c1ccsc1
InChIInChI=1S/C7H11NS/c1-6(8-2)7-3-4-9-5-7/h3-6H,2,8H2,1H3
InChIKeyLXIDJLRARWFZAX-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.16
Rot. Bonds2

About methanidyl(1-thiophen-3-ylethyl)azanium

methanidyl(1-thiophen-3-ylethyl)azanium (PubChem CID 59297819) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is methanidyl(1-thiophen-3-ylethyl)azanium.

Molecular Properties

Compound Namemethanidyl(1-thiophen-3-ylethyl)azanium
PubChem CID59297819
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Namemethanidyl(1-thiophen-3-ylethyl)azanium
SMILES[CH2-][NH2+]C(C)c1ccsc1
InChIInChI=1S/C7H11NS/c1-6(8-2)7-3-4-9-5-7/h3-6H,2,8H2,1H3
InChIKeyLXIDJLRARWFZAX-UHFFFAOYSA-N
XLogP1.16
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
1-thiophen-3-ylethyl acetate
CID 59753762
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
3-pent-4-yn-2-ylthiophene
CID 83927679
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391

Frequently Asked Questions

What is the IUPAC name of methanidyl(1-thiophen-3-ylethyl)azanium?
The IUPAC name of methanidyl(1-thiophen-3-ylethyl)azanium (CID 59297819) is methanidyl(1-thiophen-3-ylethyl)azanium.
What is the SMILES notation for methanidyl(1-thiophen-3-ylethyl)azanium?
The canonical SMILES for methanidyl(1-thiophen-3-ylethyl)azanium is [CH2-][NH2+]C(C)c1ccsc1.
What is the InChIKey of methanidyl(1-thiophen-3-ylethyl)azanium?
The InChIKey is LXIDJLRARWFZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(8-2)7-3-4-9-5-7/h3-6H,2,8H2,1H3.
What are the key properties of methanidyl(1-thiophen-3-ylethyl)azanium?
methanidyl(1-thiophen-3-ylethyl)azanium has a molecular weight of 141.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(1-thiophen-3-ylethyl)azanium is sourced from PubChem (CID 59297819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).