methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate

C9H17NO2S — CID 79653988

IUPACmethyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate
SMILESCCSC1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C9H17NO2S/c1-3-13-7-4-5-9(10,6-7)8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKeyMPFGOHIYSNDZLJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.16
Rot. Bonds3

About methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate

methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate (PubChem CID 79653988) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate
PubChem CID79653988
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate
SMILESCCSC1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C9H17NO2S/c1-3-13-7-4-5-9(10,6-7)8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKeyMPFGOHIYSNDZLJ-UHFFFAOYSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate (CID 79653988) is methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate is CCSC1CCC(N)(C(=O)OC)C1.
What is the InChIKey of methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate?
The InChIKey is MPFGOHIYSNDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-13-7-4-5-9(10,6-7)8(11)12-2/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate?
methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-ethylsulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79653988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).