methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate

C15H27NO3S — CID 107755276

IUPACmethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCSC1CCOC1C
InChIInChI=1S/C15H27NO3S/c1-11-13(6-9-19-11)20-10-7-12-5-4-8-15(12,16-2)14(17)18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyBMQNDBWJTDVXGM-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.22
Rot. Bonds6

About methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate

methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate (PubChem CID 107755276) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
PubChem CID107755276
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Namemethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCSC1CCOC1C
InChIInChI=1S/C15H27NO3S/c1-11-13(6-9-19-11)20-10-7-12-5-4-8-15(12,16-2)14(17)18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyBMQNDBWJTDVXGM-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 107755206
1-(ethylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 107755374
[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol
CID 107764576
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047
methyl 1-(methylamino)-2-[2-(oxolan-3-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79571672
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507
methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79565986
methyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79563943
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
1-(methylamino)-2-[2-(oxetan-3-ylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79582619
methyl 2-[2-(3-methoxy-3-methylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 106666862

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate (CID 107755276) is methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCSC1CCOC1C.
What is the InChIKey of methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The InChIKey is BMQNDBWJTDVXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-11-13(6-9-19-11)20-10-7-12-5-4-8-15(12,16-2)14(17)18-3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate has a molecular weight of 301.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 107755276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).