3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine

C14H28N2O2S2 — CID 106976470

IUPAC3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine
SMILESCCCC1(CN2CCSCC2S(=O)(=O)CC)CCCN1
InChIInChI=1S/C14H28N2O2S2/c1-3-6-14(7-5-8-15-14)12-16-9-10-19-11-13(16)20(17,18)4-2/h13,15H,3-12H2,1-2H3
InChIKeyHIDAHHLTDUSSAO-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.72
Rot. Bonds6

About 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine

3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine (PubChem CID 106976470) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine
PubChem CID106976470
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine
SMILESCCCC1(CN2CCSCC2S(=O)(=O)CC)CCCN1
InChIInChI=1S/C14H28N2O2S2/c1-3-6-14(7-5-8-15-14)12-16-9-10-19-11-13(16)20(17,18)4-2/h13,15H,3-12H2,1-2H3
InChIKeyHIDAHHLTDUSSAO-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine?
The IUPAC name of 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine (CID 106976470) is 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine is CCCC1(CN2CCSCC2S(=O)(=O)CC)CCCN1.
What is the InChIKey of 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine?
The InChIKey is HIDAHHLTDUSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-3-6-14(7-5-8-15-14)12-16-9-10-19-11-13(16)20(17,18)4-2/h13,15H,3-12H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine?
3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine has a molecular weight of 320.52 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-4-[(2-propylpyrrolidin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 106976470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).