[(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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Related Compounds

[(2S,4S)-1-(cyclopropylmethyl)-4-fluoropyrrolidin-2-yl]methanamine
CID 130736370
[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine
CID 107133244
[(2S,4R)-4-fluoro-1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 130608430
[(2S,4S)-4-fluoro-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 130608585
5-(thiolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107133199
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663
(3aR,6aR)-1-(thiolan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 130847499
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
CID 107133710
4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine
CID 130668817

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).