cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine

C10H13ClFNS — CID 130835205

IUPACcis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCc1ccsc1Cl
InChIInChI=1S/C10H13ClFNS/c11-10-7(4-5-14-10)6-13-9-3-1-2-8(9)12/h4-5,8-9,13H,1-3,6H2/t8-,9+/m0/s1
InChIKeyQSXUIJNLPHFZGS-DTWKUNHWSA-N
MW233.74 g/mol
LogP3.38
Rot. Bonds3

About cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine

cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine (PubChem CID 130835205) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
PubChem CID130835205
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Namecis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCc1ccsc1Cl
InChIInChI=1S/C10H13ClFNS/c11-10-7(4-5-14-10)6-13-9-3-1-2-8(9)12/h4-5,8-9,13H,1-3,6H2/t8-,9+/m0/s1
InChIKeyQSXUIJNLPHFZGS-DTWKUNHWSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
CID 130698269
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
cis-(1S,2R)-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 126997347
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265
S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine
CID 130241438
2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
CID 130654011
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)cyclopentan-1-amine
CID 126857804
3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248534

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine (CID 130835205) is cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine is F[C@H]1CCC[C@H]1NCc1ccsc1Cl.
What is the InChIKey of cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
The InChIKey is QSXUIJNLPHFZGS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H13ClFNS/c11-10-7(4-5-14-10)6-13-9-3-1-2-8(9)12/h4-5,8-9,13H,1-3,6H2/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine has a molecular weight of 233.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine is sourced from PubChem (CID 130835205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).