(3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone

C14H26N2O3S2 — CID 66382083

IUPAC(3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCSCC2S(C)(=O)=O)CCNCC1
InChIInChI=1S/C14H26N2O3S2/c1-3-4-14(5-7-15-8-6-14)13(17)16-9-10-20-11-12(16)21(2,18)19/h12,15H,3-11H2,1-2H3
InChIKeyMRTBPWDGQOUPES-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.10
Rot. Bonds4

About (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone

(3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 66382083) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID66382083
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC Name(3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCSCC2S(C)(=O)=O)CCNCC1
InChIInChI=1S/C14H26N2O3S2/c1-3-4-14(5-7-15-8-6-14)13(17)16-9-10-20-11-12(16)21(2,18)19/h12,15H,3-11H2,1-2H3
InChIKeyMRTBPWDGQOUPES-UHFFFAOYSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone 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

[1-(aminomethyl)cyclohexyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115437991
[1-(aminomethyl)cycloheptyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115444203
4-(3-propylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904432
4-(4-ethylpiperidine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904016
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
1-(3-methylsulfonylthiomorpholine-4-carbonyl)cycloheptane-1-carbonitrile
CID 66384599
1-(1,4-diazepan-1-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethane-1,2-dione
CID 66381725
2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444964
4-(3-ethylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904914
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
4-(4-propylpiperidine-4-carbonyl)piperazine-1-sulfonamide
CID 63128829
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone (CID 66382083) is (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)N2CCSCC2S(C)(=O)=O)CCNCC1.
What is the InChIKey of (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is MRTBPWDGQOUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-3-4-14(5-7-15-8-6-14)13(17)16-9-10-20-11-12(16)21(2,18)19/h12,15H,3-11H2,1-2H3.
What are the key properties of (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone?
(3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 334.51 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylthiomorpholin-4-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 66382083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).