3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

C10H17NO2S — CID 21179753

IUPAC3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCN(C2C=CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H17NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyYKWXTSJTKCRIPA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.03
Rot. Bonds1

About 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 21179753) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID21179753
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCN(C2C=CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H17NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyYKWXTSJTKCRIPA-UHFFFAOYSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide 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-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)piperidine
CID 2831160
3-Piperidino-5-trimethylgermyl-2,3-dihydrothiophene 1,1-dioxide
CID 10615465
4-Methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 10846361
3-(4-But-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide
CID 91198676
2-Ethenyl-1-hexyl-1-(3-methylsulfonylpropyl)piperidin-1-ium
CID 91805833
4-[(Z,3S)-3,4-dimethylpent-1-enyl]sulfonyl-1-methylpiperidine
CID 172295848
(3R)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380381
(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380382
(1,1-Dioxo-3-piperidin-1-yl-2-trimethylgermyl-2,3-dihydrothiophen-5-yl)-trimethylgermane
CID 10765301
N,N-bis(2-methylpropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 21179699
3-(4-Methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
CID 21179752
3-(2-Methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
CID 21179754

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (CID 21179753) is 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is CC1CCN(C2C=CS(=O)(=O)C2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is YKWXTSJTKCRIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 21179753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).