N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine

C13H27N3S — CID 82916049

IUPACN,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2CSCCN2)C1
InChIInChI=1S/C13H27N3S/c1-3-16(4-2)13-5-7-15(10-13)9-12-11-17-8-6-14-12/h12-14H,3-11H2,1-2H3
InChIKeyQPZUKEDYAZWJRJ-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.11
Rot. Bonds5

About N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine

N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 82916049) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine
PubChem CID82916049
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2CSCCN2)C1
InChIInChI=1S/C13H27N3S/c1-3-16(4-2)13-5-7-15(10-13)9-12-11-17-8-6-14-12/h12-14H,3-11H2,1-2H3
InChIKeyQPZUKEDYAZWJRJ-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine (CID 82916049) is N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine is CCN(CC)C1CCN(CC2CSCCN2)C1.
What is the InChIKey of N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is QPZUKEDYAZWJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-3-16(4-2)13-5-7-15(10-13)9-12-11-17-8-6-14-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine?
N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 257.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 82916049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).