2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide

C12H17ClN2OS — CID 81252167

IUPAC2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(NC1CCc2sc(Cl)cc21)C(=O)N(C)C
InChIInChI=1S/C12H17ClN2OS/c1-7(12(16)15(2)3)14-9-4-5-10-8(9)6-11(13)17-10/h6-7,9,14H,4-5H2,1-3H3
InChIKeyNOTIKSJXGQRYNQ-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.46
Rot. Bonds3

About 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide

2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 81252167) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID81252167
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(NC1CCc2sc(Cl)cc21)C(=O)N(C)C
InChIInChI=1S/C12H17ClN2OS/c1-7(12(16)15(2)3)14-9-4-5-10-8(9)6-11(13)17-10/h6-7,9,14H,4-5H2,1-3H3
InChIKeyNOTIKSJXGQRYNQ-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide with MolForge

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Related Compounds

2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-propan-2-ylacetamide
CID 81251948
1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 81235603
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252386
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-methylpropanamide
CID 81252804
N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251736
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 43778180
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252766
2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251862
2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252708
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 43573994
2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide (CID 81252167) is 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide is CC(NC1CCc2sc(Cl)cc21)C(=O)N(C)C.
What is the InChIKey of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is NOTIKSJXGQRYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-7(12(16)15(2)3)14-9-4-5-10-8(9)6-11(13)17-10/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide?
2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 272.80 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 81252167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).