methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate

C15H25NO2S — CID 79653491

IUPACmethyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(SC2CCCC2)C1
InChIInChI=1S/C15H25NO2S/c1-18-14(17)15(16-11-6-7-11)9-8-13(10-15)19-12-4-2-3-5-12/h11-13,16H,2-10H2,1H3
InChIKeyFAASMUHSUQBLLL-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.88
Rot. Bonds5

About methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate

methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate (PubChem CID 79653491) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
PubChem CID79653491
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(SC2CCCC2)C1
InChIInChI=1S/C15H25NO2S/c1-18-14(17)15(16-11-6-7-11)9-8-13(10-15)19-12-4-2-3-5-12/h11-13,16H,2-10H2,1H3
InChIKeyFAASMUHSUQBLLL-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)cyclopentane-1-carboxylate
CID 79656496
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
methyl 1-(cyclopentylamino)-3-methylcyclopentane-1-carboxylate
CID 64513580
methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate
CID 64514041
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64746251
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
methyl 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634851
methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648737
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate
CID 106495655
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate (CID 79653491) is methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(SC2CCCC2)C1.
What is the InChIKey of methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate?
The InChIKey is FAASMUHSUQBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-18-14(17)15(16-11-6-7-11)9-8-13(10-15)19-12-4-2-3-5-12/h11-13,16H,2-10H2,1H3.
What are the key properties of methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate?
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate has a molecular weight of 283.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79653491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).