1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

C12H22N2O2S — CID 66421814

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCCC(CO)C1
InChIInChI=1S/C12H22N2O2S/c15-8-10-2-1-4-14(7-10)12(16)6-11-9-17-5-3-13-11/h10-11,13,15H,1-9H2
InChIKeyBPQBKINVOAVDEC-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.31
Rot. Bonds3

About 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 66421814) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID66421814
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCCC(CO)C1
InChIInChI=1S/C12H22N2O2S/c15-8-10-2-1-4-14(7-10)12(16)6-11-9-17-5-3-13-11/h10-11,13,15H,1-9H2
InChIKeyBPQBKINVOAVDEC-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939216
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
CID 119936804
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
CID 115746768
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (CID 66421814) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is BPQBKINVOAVDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-8-10-2-1-4-14(7-10)12(16)6-11-9-17-5-3-13-11/h10-11,13,15H,1-9H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 258.39 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66421814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).