4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide

C9H15NO2S — CID 21498926

IUPAC4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESO=S1(=O)CC=C(N2CCCC2)CC1
InChIInChI=1S/C9H15NO2S/c11-13(12)7-3-9(4-8-13)10-5-1-2-6-10/h3H,1-2,4-8H2
InChIKeyKCTSKECNSGUYNA-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.78
Rot. Bonds1

About 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide

4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 21498926) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID21498926
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESO=S1(=O)CC=C(N2CCCC2)CC1
InChIInChI=1S/C9H15NO2S/c11-13(12)7-3-9(4-8-13)10-5-1-2-6-10/h3H,1-2,4-8H2
InChIKeyKCTSKECNSGUYNA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide (CID 21498926) is 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide is O=S1(=O)CC=C(N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is KCTSKECNSGUYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-13(12)7-3-9(4-8-13)10-5-1-2-6-10/h3H,1-2,4-8H2.
What are the key properties of 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 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 4-pyrrolidin-1-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 21498926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).