N,N-dimethyl-1-thiomorpholin-3-ylethanamine

C8H18N2S — CID 23090382

IUPACN,N-dimethyl-1-thiomorpholin-3-ylethanamine
SMILESCC(C1CSCCN1)N(C)C
InChIInChI=1S/C8H18N2S/c1-7(10(2)3)8-6-11-5-4-9-8/h7-9H,4-6H2,1-3H3
InChIKeyPDYRXAFXVWVSGZ-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds2

About N,N-dimethyl-1-thiomorpholin-3-ylethanamine

N,N-dimethyl-1-thiomorpholin-3-ylethanamine (PubChem CID 23090382) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N,N-dimethyl-1-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-thiomorpholin-3-ylethanamine
PubChem CID23090382
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN,N-dimethyl-1-thiomorpholin-3-ylethanamine
SMILESCC(C1CSCCN1)N(C)C
InChIInChI=1S/C8H18N2S/c1-7(10(2)3)8-6-11-5-4-9-8/h7-9H,4-6H2,1-3H3
InChIKeyPDYRXAFXVWVSGZ-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiomorpholin-3-ylethanamine?
The IUPAC name of N,N-dimethyl-1-thiomorpholin-3-ylethanamine (CID 23090382) is N,N-dimethyl-1-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N,N-dimethyl-1-thiomorpholin-3-ylethanamine?
The canonical SMILES for N,N-dimethyl-1-thiomorpholin-3-ylethanamine is CC(C1CSCCN1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-thiomorpholin-3-ylethanamine?
The InChIKey is PDYRXAFXVWVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(10(2)3)8-6-11-5-4-9-8/h7-9H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-thiomorpholin-3-ylethanamine?
N,N-dimethyl-1-thiomorpholin-3-ylethanamine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 23090382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).