ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate

C12H21NO2S — CID 104526787

IUPACethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCSC2)C1
InChIInChI=1S/C12H21NO2S/c1-2-15-12(14)9-3-4-10(7-9)13-11-5-6-16-8-11/h9-11,13H,2-8H2,1H3
InChIKeyYUXJSKMIDVNPML-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.81
Rot. Bonds4

About ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate

ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate (PubChem CID 104526787) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
PubChem CID104526787
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Nameethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC2CCSC2)C1
InChIInChI=1S/C12H21NO2S/c1-2-15-12(14)9-3-4-10(7-9)13-11-5-6-16-8-11/h9-11,13H,2-8H2,1H3
InChIKeyYUXJSKMIDVNPML-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(acetylsulfanylmethyl)-3-pyrrolidin-3-ylpropanoate
CID 151031465
Ethyl 4-(thiolan-3-ylamino)cyclohexane-1-carboxylate
CID 54867036
3-[[2-(2-Methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030145
3-(Thiolane-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030320
3-(Thiolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032695
Ethyl 4-[(5-methylthiolan-3-yl)amino]cyclohexane-1-carboxylate
CID 79949719
3-[(2-Methylthiolane-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 81451718
Ethyl 3-(pentan-2-ylamino)cyclopentane-1-carboxylate
CID 104079867
Ethyl 3-(butan-2-ylamino)cyclopentane-1-carboxylate
CID 104185694
Ethyl 3-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 104628487
Ethyl 3-(pentan-3-ylamino)cyclopentane-1-carboxylate
CID 104628488
Ethyl 3-(3-methylbutan-2-ylamino)cyclopentane-1-carboxylate
CID 104628489

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate (CID 104526787) is ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate is CCOC(=O)C1CCC(NC2CCSC2)C1.
What is the InChIKey of ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate?
The InChIKey is YUXJSKMIDVNPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-2-15-12(14)9-3-4-10(7-9)13-11-5-6-16-8-11/h9-11,13H,2-8H2,1H3.
What are the key properties of ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate?
ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate has a molecular weight of 243.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 104526787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).