(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate

C13H23NO2S — CID 170530086

IUPAC(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate
SMILESCC(C)C1(OC(=O)N2CCSCC2)CCCC1
InChIInChI=1S/C13H23NO2S/c1-11(2)13(5-3-4-6-13)16-12(15)14-7-9-17-10-8-14/h11H,3-10H2,1-2H3
InChIKeyDDUNZNIJWIYFOX-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.14
Rot. Bonds2

About (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate

(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate (PubChem CID 170530086) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate
PubChem CID170530086
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate
SMILESCC(C)C1(OC(=O)N2CCSCC2)CCCC1
InChIInChI=1S/C13H23NO2S/c1-11(2)13(5-3-4-6-13)16-12(15)14-7-9-17-10-8-14/h11H,3-10H2,1-2H3
InChIKeyDDUNZNIJWIYFOX-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propan-2-ylcyclopentyl) acetate
CID 58143154
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate
CID 170530170
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
2-methyl-3-oxo-3-(1-propan-2-ylcyclohexyl)oxypropanoic acid
CID 170442818
tert-butyl 1,4,7,10-tetrathia-13-azacyclopentadecane-13-carboxylate
CID 166609732
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
methyl 1-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylate
CID 71706993
(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate
CID 91415677
(1-propan-2-ylcyclopropyl) 2-methyl-7-oxo-1,5-oxazocane-5-carboxylate
CID 143415177
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
N-hydroxy-2-thiomorpholin-4-ylpropanamide
CID 130625888

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate?
The IUPAC name of (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate (CID 170530086) is (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate is CC(C)C1(OC(=O)N2CCSCC2)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate?
The InChIKey is DDUNZNIJWIYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-11(2)13(5-3-4-6-13)16-12(15)14-7-9-17-10-8-14/h11H,3-10H2,1-2H3.
What are the key properties of (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate?
(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate has a molecular weight of 257.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate is sourced from PubChem (CID 170530086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).