(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide

C9H15NO2S — CID 1380382

IUPAC(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C[C@H](N2CCCCC2)C1
InChIInChI=1S/C9H15NO2S/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10/h4,7,9H,1-3,5-6,8H2/t9-/m0/s1
InChIKeyPCBCJYQDNVXHSY-VIFPVBQESA-N
MW201.29 g/mol
LogP0.78
Rot. Bonds1

About (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide

(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 1380382) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID1380382
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C[C@H](N2CCCCC2)C1
InChIInChI=1S/C9H15NO2S/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10/h4,7,9H,1-3,5-6,8H2/t9-/m0/s1
InChIKeyPCBCJYQDNVXHSY-VIFPVBQESA-N
XLogP0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)piperidine
CID 2831160
1-(1,1-Dioxido-4,5-dihydro-3-thienyl)piperidine
CID 1950352
3-Piperidino-5-trimethylgermyl-2,3-dihydrothiophene 1,1-dioxide
CID 10615465
1-Hydroxy-4-piperidyl-4,5-dihydrothiophen-1-one
CID 3719780
2-Ethenyl-1-hexyl-1-(3-methylsulfonylpropyl)piperidin-1-ium
CID 91805833
(3R)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380381
(3R)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413791
(3S)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413792
3-(Azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 5072962
(3R)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983465
(3S)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983466
(1,1-Dioxo-3-piperidin-1-yl-2-trimethylgermyl-2,3-dihydrothiophen-5-yl)-trimethylgermane
CID 10765301

Frequently Asked Questions

What is the IUPAC name of (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide (CID 1380382) is (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=C[C@H](N2CCCCC2)C1.
What is the InChIKey of (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is PCBCJYQDNVXHSY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO2S/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10/h4,7,9H,1-3,5-6,8H2/t9-/m0/s1.
What are the key properties of (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 201.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 1380382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).