(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine

C16H26N2OS — CID 70754291

IUPAC(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
SMILESCC[C@H]1COCCN1Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C16H26N2OS/c1-2-14-13-19-10-9-18(14)12-16-6-5-15(20-16)11-17-7-3-4-8-17/h5-6,14H,2-4,7-13H2,1H3/t14-/m0/s1
InChIKeyMZKGAWNZSQMGSI-AWEZNQCLSA-N
MW294.46 g/mol
LogP2.95
Rot. Bonds5

About (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine

(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine (PubChem CID 70754291) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
PubChem CID70754291
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
SMILESCC[C@H]1COCCN1Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C16H26N2OS/c1-2-14-13-19-10-9-18(14)12-16-6-5-15(20-16)11-17-7-3-4-8-17/h5-6,14H,2-4,7-13H2,1H3/t14-/m0/s1
InChIKeyMZKGAWNZSQMGSI-AWEZNQCLSA-N
XLogP2.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
The IUPAC name of (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine (CID 70754291) is (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
The canonical SMILES for (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine is CC[C@H]1COCCN1Cc1ccc(CN2CCCC2)s1.
What is the InChIKey of (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
The InChIKey is MZKGAWNZSQMGSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-14-13-19-10-9-18(14)12-16-6-5-15(20-16)11-17-7-3-4-8-17/h5-6,14H,2-4,7-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine has a molecular weight of 294.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 70754291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).