2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C11H16ClNS2 — CID 81251743

IUPAC2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCSCCCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C11H16ClNS2/c1-14-6-2-5-13-9-3-4-10-8(9)7-11(12)15-10/h7,9,13H,2-6H2,1H3
InChIKeyMIJXXPLEZUGZTD-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.73
Rot. Bonds5

About 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251743) has the molecular formula C11H16ClNS2 and a molecular weight of 261.84 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251743
Molecular FormulaC11H16ClNS2
Molecular Weight261.84 g/mol
Exact Mass261.04
IUPAC Name2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCSCCCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C11H16ClNS2/c1-14-6-2-5-13-9-3-4-10-8(9)7-11(12)15-10/h7,9,13H,2-6H2,1H3
InChIKeyMIJXXPLEZUGZTD-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-methylhexyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 113287334
methyl 4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]butanoate
CID 81252064
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114536382
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butan-1-ol
CID 106840669
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-methylpropanamide
CID 81252804
2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252699
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251498
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81251528
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 106899450
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251743) is 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CSCCCNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is MIJXXPLEZUGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS2/c1-14-6-2-5-13-9-3-4-10-8(9)7-11(12)15-10/h7,9,13H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 261.84 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfanylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).