3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine

C7H13F3N2S — CID 65378023

IUPAC3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESNCC1(NCC(F)(F)F)CCSC1
InChIInChI=1S/C7H13F3N2S/c8-7(9,10)4-12-6(3-11)1-2-13-5-6/h12H,1-5,11H2
InChIKeyRRZFDKYLDDSOHM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.97
Rot. Bonds3

About 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine

3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine (PubChem CID 65378023) has the molecular formula C7H13F3N2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
PubChem CID65378023
Molecular FormulaC7H13F3N2S
Molecular Weight214.26 g/mol
Exact Mass214.08
IUPAC Name3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESNCC1(NCC(F)(F)F)CCSC1
InChIInChI=1S/C7H13F3N2S/c8-7(9,10)4-12-6(3-11)1-2-13-5-6/h12H,1-5,11H2
InChIKeyRRZFDKYLDDSOHM-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-Trifluoroethylamino)thiolane-3-carbonitrile
CID 60998536
2,2,2-trifluoro-N-(thiolan-3-ylmethyl)ethanamine
CID 64166226
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine
CID 65376349
3-(aminomethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 65378018
3-(aminomethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 79950713
N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210917
3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107132081
1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107132801
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 107424430
3-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 108424285
3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylthiolan-3-amine
CID 108424318
3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114995668

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine (CID 65378023) is 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine is NCC1(NCC(F)(F)F)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The InChIKey is RRZFDKYLDDSOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2S/c8-7(9,10)4-12-6(3-11)1-2-13-5-6/h12H,1-5,11H2.
What are the key properties of 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine has a molecular weight of 214.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine is sourced from PubChem (CID 65378023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).