N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H19F3N2S — CID 82917021

IUPACN-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-2-4-15(8-10(11,12)13)6-9-7-16-5-3-14-9/h9,14H,2-8H2,1H3
InChIKeyBBDRPIKMUPXALG-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.97
Rot. Bonds5

About N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 82917021) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID82917021
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CSCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-2-4-15(8-10(11,12)13)6-9-7-16-5-3-14-9/h9,14H,2-8H2,1H3
InChIKeyBBDRPIKMUPXALG-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 82917021) is N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC1CSCCN1)CC(F)(F)F.
What is the InChIKey of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BBDRPIKMUPXALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-2-4-15(8-10(11,12)13)6-9-7-16-5-3-14-9/h9,14H,2-8H2,1H3.
What are the key properties of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 256.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 82917021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).