trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine

C11H16BrNS — CID 95377382

IUPACtrans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESC[C@H]1CCC[C@@H]1NCc1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-8-3-2-4-11(8)13-6-10-5-9(12)7-14-10/h5,7-8,11,13H,2-4,6H2,1H3/t8-,11-/m0/s1
InChIKeyPKMAIGOTGIJPMO-KWQFWETISA-N
MW274.23 g/mol
LogP3.79
Rot. Bonds3

About trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine

trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 95377382) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID95377382
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Nametrans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESC[C@H]1CCC[C@@H]1NCc1cc(Br)cs1
InChIInChI=1S/C11H16BrNS/c1-8-3-2-4-11(8)13-6-10-5-9(12)7-14-10/h5,7-8,11,13H,2-4,6H2,1H3/t8-,11-/m0/s1
InChIKeyPKMAIGOTGIJPMO-KWQFWETISA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 63278379
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 102836225
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
N-[(4-bromothiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43123617
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine (CID 95377382) is trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine is C[C@H]1CCC[C@@H]1NCc1cc(Br)cs1.
What is the InChIKey of trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is PKMAIGOTGIJPMO-KWQFWETISA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8-3-2-4-11(8)13-6-10-5-9(12)7-14-10/h5,7-8,11,13H,2-4,6H2,1H3/t8-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine?
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 95377382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).