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

C10H20ClFN2S — CID 131067547

IUPAC[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H](F)CN1CC1CCSC1
InChIInChI=1S/C10H19FN2S.ClH/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8;/h8-10H,1-7,12H2;1H/t8?,9-,10-;/m0./s1
InChIKeyLRDHGZFKWIZVFM-KMQXGVQRSA-N
MW254.80 g/mol
LogP1.53
Rot. Bonds3

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

[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 131067547) has the molecular formula C10H20ClFN2S and a molecular weight of 254.80 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID131067547
Molecular FormulaC10H20ClFN2S
Molecular Weight254.80 g/mol
Exact Mass254.10
IUPAC Name[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H](F)CN1CC1CCSC1
InChIInChI=1S/C10H19FN2S.ClH/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8;/h8-10H,1-7,12H2;1H/t8?,9-,10-;/m0./s1
InChIKeyLRDHGZFKWIZVFM-KMQXGVQRSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 131067547) is [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is LRDHGZFKWIZVFM-KMQXGVQRSA-N. The full InChI is InChI=1S/C10H19FN2S.ClH/c11-9-3-10(4-12)13(6-9)5-8-1-2-14-7-8;/h8-10H,1-7,12H2;1H/t8?,9-,10-;/m0./s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 1.53, 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;hydrochloride is sourced from PubChem (CID 131067547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).