(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium

C8H12NS+ — CID 167407458

IUPAC(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
SMILESCc1sc2c(c1[NH3+])CCC2
InChIInChI=1S/C8H11NS/c1-5-8(9)6-3-2-4-7(6)10-5/h2-4,9H2,1H3/p+1
InChIKeyJNTGNOZTCSZGJB-UHFFFAOYSA-O
MW154.26 g/mol
LogP1.42
Rot. Bonds

About (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium

(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium (PubChem CID 167407458) has the molecular formula C8H12NS+ and a molecular weight of 154.26 g/mol. Its IUPAC name is (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium.

Molecular Properties

Compound Name(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
PubChem CID167407458
Molecular FormulaC8H12NS+
Molecular Weight154.26 g/mol
Exact Mass154.07
IUPAC Name(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
SMILESCc1sc2c(c1[NH3+])CCC2
InChIInChI=1S/C8H11NS/c1-5-8(9)6-3-2-4-7(6)10-5/h2-4,9H2,1H3/p+1
InChIKeyJNTGNOZTCSZGJB-UHFFFAOYSA-O
XLogP1.42
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium with MolForge

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Related Compounds

2-(Trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine hydrochloride
CID 155389387
2-(Trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
CID 155389388
N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine
CID 167407425
[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium
CID 167407489
2,4,5-Trimethylthiophen-3-amine
CID 23464358
3-Isocyano-2,4,5-trimethylthiophene
CID 57801911
3-isocyano-2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 58011204
3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 58862031
2-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-amine
CID 59291375
2-Ethyl-4,5-dimethylthiophen-3-amine
CID 71412408
4-[(Z)-3-aminobut-2-en-2-yl]-2,5-dimethylthiophen-3-amine
CID 117733438
4,6-diethyl-3H-thieno[3,4-c]pyrazole
CID 130318337

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
The IUPAC name of (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium (CID 167407458) is (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium.
What is the SMILES notation for (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
The canonical SMILES for (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium is Cc1sc2c(c1[NH3+])CCC2.
What is the InChIKey of (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
The InChIKey is JNTGNOZTCSZGJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NS/c1-5-8(9)6-3-2-4-7(6)10-5/h2-4,9H2,1H3/p+1.
What are the key properties of (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium has a molecular weight of 154.26 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium is sourced from PubChem (CID 167407458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).