cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine

C10H18FNS — CID 130690110

IUPACcis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCC1CCSC1
InChIInChI=1S/C10H18FNS/c11-9-2-1-3-10(9)12-6-8-4-5-13-7-8/h8-10,12H,1-7H2/t8?,9-,10+/m0/s1
InChIKeyIWAUAGKBXZIQCC-CBMCFHRWSA-N
MW203.33 g/mol
LogP2.22
Rot. Bonds3

About cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine

cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine (PubChem CID 130690110) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine
PubChem CID130690110
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Namecis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCC1CCSC1
InChIInChI=1S/C10H18FNS/c11-9-2-1-3-10(9)12-6-8-4-5-13-7-8/h8-10,12H,1-7H2/t8?,9-,10+/m0/s1
InChIKeyIWAUAGKBXZIQCC-CBMCFHRWSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
1,1-difluoro-N-[(2-methylthiolan-2-yl)methyl]propan-2-amine
CID 102869805
N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine
CID 105473228
N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine
CID 105473229
2-ethylsulfanyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 105862090
3-ethylsulfanyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 105877762
3-ethylsulfanyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 105877856
5,5,5-trifluoro-N-(thiolan-3-ylmethyl)pentan-1-amine
CID 107132323
3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107166623

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine (CID 130690110) is cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine is F[C@H]1CCC[C@H]1NCC1CCSC1.
What is the InChIKey of cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is IWAUAGKBXZIQCC-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H18FNS/c11-9-2-1-3-10(9)12-6-8-4-5-13-7-8/h8-10,12H,1-7H2/t8?,9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine?
cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluoro-N-(thiolan-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 130690110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).