methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate

C13H23NO2S — CID 79588054

IUPACmethyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCC1CCSC
InChIInChI=1S/C13H23NO2S/c1-16-12(15)13(14-11-5-6-11)8-3-4-10(13)7-9-17-2/h10-11,14H,3-9H2,1-2H3
InChIKeyDRQGDOUZTZTBMA-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.20
Rot. Bonds6

About methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate (PubChem CID 79588054) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
PubChem CID79588054
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Namemethyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCC1CCSC
InChIInChI=1S/C13H23NO2S/c1-16-12(15)13(14-11-5-6-11)8-3-4-10(13)7-9-17-2/h10-11,14H,3-9H2,1-2H3
InChIKeyDRQGDOUZTZTBMA-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-2-[2-(2,3-dihydroxypropylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79671934
methyl 1-(cyclopropylamino)-2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79555486
methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 106924901
1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 79581172
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79587823
2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79582214
methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79586684
ethyl 1-(cyclopropylamino)-2-[2-(diethylamino)ethyl]cyclopentane-1-carboxylate
CID 79576054
methyl 1-(cyclopentylamino)-2-methylcyclopentane-1-carboxylate
CID 65045135
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79556952
methyl 2-[2-(2-methoxyethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 79586956
methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 107755276

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate (CID 79588054) is methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCCC1CCSC.
What is the InChIKey of methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
The InChIKey is DRQGDOUZTZTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-16-12(15)13(14-11-5-6-11)8-3-4-10(13)7-9-17-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate has a molecular weight of 257.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79588054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).