(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone

C10H18N2O2S — CID 103355836

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)C2CSCCN2)C1
InChIInChI=1S/C10H18N2O2S/c1-10(14)2-4-12(7-10)9(13)8-6-15-5-3-11-8/h8,11,14H,2-7H2,1H3
InChIKeyNSIAGSVRFATWLT-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.33
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone (PubChem CID 103355836) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
PubChem CID103355836
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1(O)CCN(C(=O)C2CSCCN2)C1
InChIInChI=1S/C10H18N2O2S/c1-10(14)2-4-12(7-10)9(13)8-6-15-5-3-11-8/h8,11,14H,2-7H2,1H3
InChIKeyNSIAGSVRFATWLT-UHFFFAOYSA-N
XLogP-0.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone 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

(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82916453
(7,7-dimethyl-1,4-thiazepan-4-yl)-thiomorpholin-3-ylmethanone
CID 107454657
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82908979
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
CID 106313979
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355935
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327
4-(thiomorpholine-3-carbonyl)morpholine-2-carboxylic acid
CID 82908492
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone (CID 103355836) is (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone is CC1(O)CCN(C(=O)C2CSCCN2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is NSIAGSVRFATWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(14)2-4-12(7-10)9(13)8-6-15-5-3-11-8/h8,11,14H,2-7H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 230.33 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 103355836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).