N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine

C11H21F3N2S — CID 112737916

IUPACN'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine
SMILESCN(CCC(CCN)C(F)(F)F)C1CCSC1
InChIInChI=1S/C11H21F3N2S/c1-16(10-4-7-17-8-10)6-3-9(2-5-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyAPIHSKHDESOIFQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.34
Rot. Bonds6

About N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine

N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine (PubChem CID 112737916) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine
PubChem CID112737916
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine
SMILESCN(CCC(CCN)C(F)(F)F)C1CCSC1
InChIInChI=1S/C11H21F3N2S/c1-16(10-4-7-17-8-10)6-3-9(2-5-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyAPIHSKHDESOIFQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine (CID 112737916) is N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine is CN(CCC(CCN)C(F)(F)F)C1CCSC1.
What is the InChIKey of N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine?
The InChIKey is APIHSKHDESOIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-16(10-4-7-17-8-10)6-3-9(2-5-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine?
N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine has a molecular weight of 270.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine is sourced from PubChem (CID 112737916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).