(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine

C14H22N2O3S2 — CID 129422067

IUPAC(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)CO1
InChIInChI=1S/C14H22N2O3S2/c1-11-10-19-12(2)9-16(11)21(17,18)15-7-3-5-13(15)14-6-4-8-20-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyHGUBBYDQDKYGGB-XQQFMLRXSA-N
MW330.48 g/mol
LogP2.24
Rot. Bonds3

About (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine

(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 129422067) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine
PubChem CID129422067
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)CO1
InChIInChI=1S/C14H22N2O3S2/c1-11-10-19-12(2)9-16(11)21(17,18)15-7-3-5-13(15)14-6-4-8-20-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyHGUBBYDQDKYGGB-XQQFMLRXSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine (CID 129422067) is (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine is C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is HGUBBYDQDKYGGB-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-11-10-19-12(2)9-16(11)21(17,18)15-7-3-5-13(15)14-6-4-8-20-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine?
(2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 330.48 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 129422067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).