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

C9H14NS+ — CID 167407409

IUPAC(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
SMILESCCc1sc2c(c1[NH3+])CCC2
InChIInChI=1S/C9H13NS/c1-2-7-9(10)6-4-3-5-8(6)11-7/h2-5,10H2,1H3/p+1
InChIKeySWRKHTQAUZSFGP-UHFFFAOYSA-O
MW168.28 g/mol
LogP1.67
Rot. Bonds1

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

(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium (PubChem CID 167407409) has the molecular formula C9H14NS+ and a molecular weight of 168.28 g/mol. Its IUPAC name is (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium.

Molecular Properties

Compound Name(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
PubChem CID167407409
Molecular FormulaC9H14NS+
Molecular Weight168.28 g/mol
Exact Mass168.08
IUPAC Name(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
SMILESCCc1sc2c(c1[NH3+])CCC2
InChIInChI=1S/C9H13NS/c1-2-7-9(10)6-4-3-5-8(6)11-7/h2-5,10H2,1H3/p+1
InChIKeySWRKHTQAUZSFGP-UHFFFAOYSA-O
XLogP1.67
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-ethyl-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-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
The IUPAC name of (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium (CID 167407409) is (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium.
What is the SMILES notation for (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
The canonical SMILES for (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium is CCc1sc2c(c1[NH3+])CCC2.
What is the InChIKey of (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
The InChIKey is SWRKHTQAUZSFGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NS/c1-2-7-9(10)6-4-3-5-8(6)11-7/h2-5,10H2,1H3/p+1.
What are the key properties of (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium?
(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium has a molecular weight of 168.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium is sourced from PubChem (CID 167407409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).