5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol

C10H20N2OS — CID 66054789

IUPAC5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol
SMILESCC1CSCCN1CC1CC(O)CN1
InChIInChI=1S/C10H20N2OS/c1-8-7-14-3-2-12(8)6-9-4-10(13)5-11-9/h8-11,13H,2-7H2,1H3
InChIKeyIFQVZIMKQODVMF-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.15
Rot. Bonds2

About 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol

5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 66054789) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol
PubChem CID66054789
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol
SMILESCC1CSCCN1CC1CC(O)CN1
InChIInChI=1S/C10H20N2OS/c1-8-7-14-3-2-12(8)6-9-4-10(13)5-11-9/h8-11,13H,2-7H2,1H3
InChIKeyIFQVZIMKQODVMF-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
CID 131176317
5-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 66056950
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 66056964
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 66056767
3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
CID 126975144
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]pyrrolidin-3-ol
CID 102726846
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 83219997
2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 79848984
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol
CID 66054971
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
CID 77015831
5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol
CID 66056162
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol (CID 66054789) is 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol is CC1CSCCN1CC1CC(O)CN1.
What is the InChIKey of 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IFQVZIMKQODVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-7-14-3-2-12(8)6-9-4-10(13)5-11-9/h8-11,13H,2-7H2,1H3.
What are the key properties of 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol?
5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 216.35 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).