methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate

C15H25NO3S — CID 106495655

IUPACmethyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(SCC2CCCO2)C1
InChIInChI=1S/C15H25NO3S/c1-18-14(17)15(16-11-4-5-11)7-6-13(9-15)20-10-12-3-2-8-19-12/h11-13,16H,2-10H2,1H3
InChIKeyGBYDIOFWAWGYPJ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.11
Rot. Bonds6

About methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate (PubChem CID 106495655) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate
PubChem CID106495655
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Namemethyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(SCC2CCCO2)C1
InChIInChI=1S/C15H25NO3S/c1-18-14(17)15(16-11-4-5-11)7-6-13(9-15)20-10-12-3-2-8-19-12/h11-13,16H,2-10H2,1H3
InChIKeyGBYDIOFWAWGYPJ-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 106495654
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
CID 106495653
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486
methyl 1-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)cyclopentane-1-carboxylate
CID 79656496
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
methyl 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634851
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
[1-amino-3-(oxolan-2-ylmethylsulfanyl)cyclopentyl]methanol
CID 106497567
methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64746251
methyl 4-(cyclopropylamino)oxane-4-carboxylate
CID 60796151
methyl 1-(oxolan-2-ylmethylamino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 62708451

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate (CID 106495655) is methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(SCC2CCCO2)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate?
The InChIKey is GBYDIOFWAWGYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-18-14(17)15(16-11-4-5-11)7-6-13(9-15)20-10-12-3-2-8-19-12/h11-13,16H,2-10H2,1H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate has a molecular weight of 299.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 106495655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).