[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone

C10H18N2OS — CID 164661854

IUPAC[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCSCC1
InChIInChI=1S/C10H18N2OS/c11-9-3-1-2-8(9)10(13)12-4-6-14-7-5-12/h8-9H,1-7,11H2/t8-,9+/m0/s1
InChIKeyKFPYIYYYLSZKCM-DTWKUNHWSA-N
MW214.33 g/mol
LogP0.69
Rot. Bonds1

About [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone

[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone (PubChem CID 164661854) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
PubChem CID164661854
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCSCC1
InChIInChI=1S/C10H18N2OS/c11-9-3-1-2-8(9)10(13)12-4-6-14-7-5-12/h8-9H,1-7,11H2/t8-,9+/m0/s1
InChIKeyKFPYIYYYLSZKCM-DTWKUNHWSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 64823652
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115740169
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787
2-[1-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
cis-(1S,2R)-2-(1,4-thiazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 114092098
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 64823213

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone (CID 164661854) is [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone is N[C@@H]1CCC[C@@H]1C(=O)N1CCSCC1.
What is the InChIKey of [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone?
The InChIKey is KFPYIYYYLSZKCM-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N2OS/c11-9-3-1-2-8(9)10(13)12-4-6-14-7-5-12/h8-9H,1-7,11H2/t8-,9+/m0/s1.
What are the key properties of [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone?
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone has a molecular weight of 214.33 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 164661854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).