cyclopropylmethyl 2-thiomorpholin-3-ylacetate

C10H17NO2S — CID 66445671

IUPACcyclopropylmethyl 2-thiomorpholin-3-ylacetate
SMILESO=C(CC1CSCCN1)OCC1CC1
InChIInChI=1S/C10H17NO2S/c12-10(13-6-8-1-2-8)5-9-7-14-4-3-11-9/h8-9,11H,1-7H2
InChIKeyWXNREYIIXKBPSU-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.03
Rot. Bonds4

About cyclopropylmethyl 2-thiomorpholin-3-ylacetate

cyclopropylmethyl 2-thiomorpholin-3-ylacetate (PubChem CID 66445671) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is cyclopropylmethyl 2-thiomorpholin-3-ylacetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-thiomorpholin-3-ylacetate
PubChem CID66445671
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namecyclopropylmethyl 2-thiomorpholin-3-ylacetate
SMILESO=C(CC1CSCCN1)OCC1CC1
InChIInChI=1S/C10H17NO2S/c12-10(13-6-8-1-2-8)5-9-7-14-4-3-11-9/h8-9,11H,1-7H2
InChIKeyWXNREYIIXKBPSU-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 2-thiomorpholin-3-ylacetate
CID 66445864
2-butoxyethyl 2-thiomorpholin-3-ylacetate
CID 66445089
2-[(2-methylpropan-2-yl)oxy]ethyl 2-thiomorpholin-3-ylacetate
CID 112588232
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179
cyclopentylmethyl 2-pyrrolidin-2-ylacetate
CID 66323077
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
3-phenylpropyl 2-thiomorpholin-3-ylacetate
CID 66443916
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
dimethyl 2-[(2-thiomorpholin-3-ylacetyl)amino]butanedioate
CID 119938524

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-thiomorpholin-3-ylacetate?
The IUPAC name of cyclopropylmethyl 2-thiomorpholin-3-ylacetate (CID 66445671) is cyclopropylmethyl 2-thiomorpholin-3-ylacetate.
What is the SMILES notation for cyclopropylmethyl 2-thiomorpholin-3-ylacetate?
The canonical SMILES for cyclopropylmethyl 2-thiomorpholin-3-ylacetate is O=C(CC1CSCCN1)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-thiomorpholin-3-ylacetate?
The InChIKey is WXNREYIIXKBPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10(13-6-8-1-2-8)5-9-7-14-4-3-11-9/h8-9,11H,1-7H2.
What are the key properties of cyclopropylmethyl 2-thiomorpholin-3-ylacetate?
cyclopropylmethyl 2-thiomorpholin-3-ylacetate has a molecular weight of 215.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-thiomorpholin-3-ylacetate is sourced from PubChem (CID 66445671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).