N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine

C9H17FN2S — CID 105456754

IUPACN-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine
SMILESFC1(CNC2CCCS2)CCNC1
InChIInChI=1S/C9H17FN2S/c10-9(3-4-11-6-9)7-12-8-2-1-5-13-8/h8,11-12H,1-7H2
InChIKeyJKWWXFFAVHCXOG-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.13
Rot. Bonds3

About N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine

N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine (PubChem CID 105456754) has the molecular formula C9H17FN2S and a molecular weight of 204.31 g/mol. Its IUPAC name is N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine
PubChem CID105456754
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC NameN-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine
SMILESFC1(CNC2CCCS2)CCNC1
InChIInChI=1S/C9H17FN2S/c10-9(3-4-11-6-9)7-12-8-2-1-5-13-8/h8,11-12H,1-7H2
InChIKeyJKWWXFFAVHCXOG-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927167
3-(2-Fluoro-2-methylpropyl)sulfanylpyrrolidine
CID 84656244
3-(3-Fluoro-3-methylbutyl)sulfanylpyrrolidine
CID 84663642
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine
CID 105456753
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine
CID 105497861
N-(thiolan-3-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 107131810
3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107166623
2-Pyrrolidin-2-ylsulfanylpyrrolidine
CID 21422632
3-Pyrrolidin-3-ylsulfanylpyrrolidine
CID 151720679
2-Pyrrolidin-3-yl-1,3-thiazolidine
CID 173372386
3-(Pyrrolidin-3-ylmethylsulfanyl)propan-1-amine
CID 66219978
N'-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 104421958

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine?
The IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine (CID 105456754) is N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine.
What is the SMILES notation for N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine?
The canonical SMILES for N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine is FC1(CNC2CCCS2)CCNC1.
What is the InChIKey of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine?
The InChIKey is JKWWXFFAVHCXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c10-9(3-4-11-6-9)7-12-8-2-1-5-13-8/h8,11-12H,1-7H2.
What are the key properties of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine?
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine has a molecular weight of 204.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine is sourced from PubChem (CID 105456754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).