(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone

C12H22N2OS — CID 115747498

IUPAC(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCCNC2)CCS1
InChIInChI=1S/C12H22N2OS/c1-10-8-14(6-7-16-10)11(15)12(2)4-3-5-13-9-12/h10,13H,3-9H2,1-2H3
InChIKeyDQSAONYOIXHKLV-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.34
Rot. Bonds1

About (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone

(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 115747498) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID115747498
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCCNC2)CCS1
InChIInChI=1S/C12H22N2OS/c1-10-8-14(6-7-16-10)11(15)12(2)4-3-5-13-9-12/h10,13H,3-9H2,1-2H3
InChIKeyDQSAONYOIXHKLV-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone (CID 115747498) is (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)C2(C)CCCNC2)CCS1.
What is the InChIKey of (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is DQSAONYOIXHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-8-14(6-7-16-10)11(15)12(2)4-3-5-13-9-12/h10,13H,3-9H2,1-2H3.
What are the key properties of (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone?
(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 242.39 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115747498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).