methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate

C12H24N2O2S — CID 95201002

IUPACmethyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(N[C@H](C)CSC)CC1
InChIInChI=1S/C12H24N2O2S/c1-10(9-17-3)13-11-4-6-14(7-5-11)8-12(15)16-2/h10-11,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyYZLROVLSAPEFOI-SNVBAGLBSA-N
MW260.40 g/mol
LogP0.96
Rot. Bonds6

About methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate

methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate (PubChem CID 95201002) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
PubChem CID95201002
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Namemethyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(N[C@H](C)CSC)CC1
InChIInChI=1S/C12H24N2O2S/c1-10(9-17-3)13-11-4-6-14(7-5-11)8-12(15)16-2/h10-11,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyYZLROVLSAPEFOI-SNVBAGLBSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide
CID 115721856
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
tert-butyl 2-[[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]amino]hexanoate
CID 75458656
N-(1-methylsulfanylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115721705
1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 115639941
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate (CID 95201002) is methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate is COC(=O)CN1CCC(N[C@H](C)CSC)CC1.
What is the InChIKey of methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate?
The InChIKey is YZLROVLSAPEFOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(9-17-3)13-11-4-6-14(7-5-11)8-12(15)16-2/h10-11,13H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate?
methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate has a molecular weight of 260.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate is sourced from PubChem (CID 95201002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).