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

C9H17FN2S — CID 105456753

IUPACN-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine
SMILESFC1(CNC2CCSC2)CCNC1
InChIInChI=1S/C9H17FN2S/c10-9(2-3-11-6-9)7-12-8-1-4-13-5-8/h8,11-12H,1-7H2
InChIKeyAAYSYZHUADXDOJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.78
Rot. Bonds3

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

N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine (PubChem CID 105456753) 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-3-amine.

Molecular Properties

Compound NameN-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine
PubChem CID105456753
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC NameN-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine
SMILESFC1(CNC2CCSC2)CCNC1
InChIInChI=1S/C9H17FN2S/c10-9(2-3-11-6-9)7-12-8-1-4-13-5-8/h8,11-12H,1-7H2
InChIKeyAAYSYZHUADXDOJ-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 79941369
3-(3-Fluoro-3-methylbutyl)sulfanylpyrrolidine
CID 84663642
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine
CID 105456754
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-3-amine
CID 105473226
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
CID 105473227
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105497860
N-(thiolan-3-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 107131810
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 113722976
N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 115674403
N-(3-pyrrolidin-1-ylpropyl)thiolan-3-amine
CID 43181780
N-[(1-ethylpyrrolidin-3-yl)methyl]thiolan-3-amine
CID 60856009

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine (CID 105456753) is N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine is FC1(CNC2CCSC2)CCNC1.
What is the InChIKey of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine?
The InChIKey is AAYSYZHUADXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c10-9(2-3-11-6-9)7-12-8-1-4-13-5-8/h8,11-12H,1-7H2.
What are the key properties of N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine?
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine has a molecular weight of 204.31 g/mol, XLogP of 0.78, 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-3-amine is sourced from PubChem (CID 105456753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).