[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine

C10H19FN2S — CID 131067548

IUPAC[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1CC1CCSC1
InChIInChI=1S/C10H19FN2S/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8/h8-10H,1-7,12H2/t8?,9-,10-/m0/s1
InChIKeyMQMORFOORFTUTK-AGROOBSYSA-N
MW218.34 g/mol
LogP1.11
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 131067548) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID131067548
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1CC1CCSC1
InChIInChI=1S/C10H19FN2S/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8/h8-10H,1-7,12H2/t8?,9-,10-/m0/s1
InChIKeyMQMORFOORFTUTK-AGROOBSYSA-N
XLogP1.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 155289081
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
N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132839
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 113722976
(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]thiolan-3-amine
CID 28483401
(3R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]thiolan-3-amine
CID 28483405
N-[(1-ethylpyrrolidin-2-yl)methyl]thiolan-3-amine
CID 43179039
N-(3-methyl-2-pyrrolidin-1-ylbutyl)thiolan-3-amine
CID 43207788
2-N,2-N,4-trimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43207883
3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43207984
3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43296423

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine (CID 131067548) is [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@H](F)CN1CC1CCSC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is MQMORFOORFTUTK-AGROOBSYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8/h8-10H,1-7,12H2/t8?,9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 131067548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).