N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

C10H17F3N2S — CID 82917020

IUPACN-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CC1CSCCN1)C1CC1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)7-15(9-1-2-9)5-8-6-16-4-3-14-8/h8-9,14H,1-7H2
InChIKeyIDMRDNYQQMDEOH-UHFFFAOYSA-N
MW254.32 g/mol
LogP1.72
Rot. Bonds4

About N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 82917020) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID82917020
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC NameN-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CC1CSCCN1)C1CC1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)7-15(9-1-2-9)5-8-6-16-4-3-14-8/h8-9,14H,1-7H2
InChIKeyIDMRDNYQQMDEOH-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.72
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)cyclopropanamine?
The IUPAC name of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 82917020) is N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CC1CSCCN1)C1CC1.
What is the InChIKey of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is IDMRDNYQQMDEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c11-10(12,13)7-15(9-1-2-9)5-8-6-16-4-3-14-8/h8-9,14H,1-7H2.
What are the key properties of N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 254.32 g/mol, XLogP of 1.72, 4 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)cyclopropanamine is sourced from PubChem (CID 82917020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).