ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate

C15H21ClN2O2S — CID 79557657

IUPACethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCSc1ncccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c1-2-20-14(19)15(17)8-3-5-11(15)7-10-21-13-12(16)6-4-9-18-13/h4,6,9,11H,2-3,5,7-8,10,17H2,1H3
InChIKeyRQJSABGVSCIDQQ-UHFFFAOYSA-N
MW328.87 g/mol
LogP3.28
Rot. Bonds6

About ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate

ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate (PubChem CID 79557657) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate
PubChem CID79557657
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Nameethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCSc1ncccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c1-2-20-14(19)15(17)8-3-5-11(15)7-10-21-13-12(16)6-4-9-18-13/h4,6,9,11H,2-3,5,7-8,10,17H2,1H3
InChIKeyRQJSABGVSCIDQQ-UHFFFAOYSA-N
XLogP3.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79557139
ethyl 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxylate
CID 79586523
ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 107755933
ethyl 2-[(3-chloro-2-pyridinyl)sulfanyl]propanoate
CID 62046154
methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
CID 79587263
5-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]-2-(2,6-diethyl-4-methylphenyl)cyclohexane-1,3-dione
CID 123503869
ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571488
ethyl 1-amino-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571411
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 47143139
methyl 1-amino-2-[2-(3-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79586985
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
methyl 1-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylate
CID 79655839

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate (CID 79557657) is ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCSc1ncccc1Cl.
What is the InChIKey of ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
The InChIKey is RQJSABGVSCIDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-2-20-14(19)15(17)8-3-5-11(15)7-10-21-13-12(16)6-4-9-18-13/h4,6,9,11H,2-3,5,7-8,10,17H2,1H3.
What are the key properties of ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate has a molecular weight of 328.87 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79557657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).