ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate

C15H27NO2S — CID 79653723

IUPACethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C15H27NO2S/c1-3-18-14(17)15(16)8-7-13(10-15)19-12-6-4-5-11(2)9-12/h11-13H,3-10,16H2,1-2H3
InChIKeyUZIKXOXKIOYMLW-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.11
Rot. Bonds4

About ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate

ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate (PubChem CID 79653723) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
PubChem CID79653723
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Nameethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(SC2CCCC(C)C2)C1
InChIInChI=1S/C15H27NO2S/c1-3-18-14(17)15(16)8-7-13(10-15)19-12-6-4-5-11(2)9-12/h11-13H,3-10,16H2,1-2H3
InChIKeyUZIKXOXKIOYMLW-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
methyl 1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79654195
[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
CID 79640996
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79654570
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79633898
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
3-(3-methylcyclohexyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634839
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
ethyl 1-amino-3-[(2-chlorophenyl)methylsulfanyl]cyclopentane-1-carboxylate
CID 103289711
ethyl 2-methyl-2-(methylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722466
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate (CID 79653723) is ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(SC2CCCC(C)C2)C1.
What is the InChIKey of ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
The InChIKey is UZIKXOXKIOYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-3-18-14(17)15(16)8-7-13(10-15)19-12-6-4-5-11(2)9-12/h11-13H,3-10,16H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate?
ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate has a molecular weight of 285.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79653723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).