[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride

C9H17ClN2OS — CID 66548475

IUPAC[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCSCC1
InChIInChI=1S/C9H16N2OS.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H/t8-;/m0./s1
InChIKeyXOVYRIUPUNUMHA-QRPNPIFTSA-N
MW236.77 g/mol
LogP0.74
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride

[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride (PubChem CID 66548475) has the molecular formula C9H17ClN2OS and a molecular weight of 236.77 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
PubChem CID66548475
Molecular FormulaC9H17ClN2OS
Molecular Weight236.77 g/mol
Exact Mass236.08
IUPAC Name[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCSCC1
InChIInChI=1S/C9H16N2OS.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H/t8-;/m0./s1
InChIKeyXOVYRIUPUNUMHA-QRPNPIFTSA-N
XLogP0.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride
CID 70088371
1,2,5-dithiazepan-5-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 131153732
azetidin-2-yl(1,4-thiazepan-4-yl)methanone
CID 130767550
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carbaldehyde;hydrochloride
CID 175528079
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride (CID 66548475) is [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride is Cl.O=C([C@@H]1CCCN1)N1CCSCC1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
The InChIKey is XOVYRIUPUNUMHA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H16N2OS.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H/t8-;/m0./s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride?
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride has a molecular weight of 236.77 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 66548475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).