cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine

C10H13ClFNS — CID 130831511

IUPACcis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCc1cc(Cl)cs1
InChIInChI=1S/C10H13ClFNS/c11-7-4-8(14-6-7)5-13-10-3-1-2-9(10)12/h4,6,9-10,13H,1-3,5H2/t9-,10+/m0/s1
InChIKeyWLLAMVDYAHVWBO-VHSXEESVSA-N
MW233.74 g/mol
LogP3.38
Rot. Bonds3

About cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine

cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine (PubChem CID 130831511) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
PubChem CID130831511
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Namecis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@H]1CCC[C@H]1NCc1cc(Cl)cs1
InChIInChI=1S/C10H13ClFNS/c11-7-4-8(14-6-7)5-13-10-3-1-2-9(10)12/h4,6,9-10,13H,1-3,5H2/t9-,10+/m0/s1
InChIKeyWLLAMVDYAHVWBO-VHSXEESVSA-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

[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449
[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 107166401
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130835205
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 79419388
N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
CID 79420660
N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79426608
2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
CID 130654011
cis-(1S,2R)-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 126997347
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine (CID 130831511) is cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine is F[C@H]1CCC[C@H]1NCc1cc(Cl)cs1.
What is the InChIKey of cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine?
The InChIKey is WLLAMVDYAHVWBO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13ClFNS/c11-7-4-8(14-6-7)5-13-10-3-1-2-9(10)12/h4,6,9-10,13H,1-3,5H2/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine?
cis-(1R,2S)-N-[(4-chlorothiophen-2-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-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine is sourced from PubChem (CID 130831511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).