trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol

C10H14ClNOS — CID 130698269

IUPACtrans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCc1ccsc1Cl
InChIInChI=1S/C10H14ClNOS/c11-10-7(4-5-14-10)6-12-8-2-1-3-9(8)13/h4-5,8-9,12-13H,1-3,6H2/t8-,9-/m0/s1
InChIKeyXWWPAXTVPDGZCO-IUCAKERBSA-N
MW231.75 g/mol
LogP2.40
Rot. Bonds3

About trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol (PubChem CID 130698269) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
PubChem CID130698269
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Nametrans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCc1ccsc1Cl
InChIInChI=1S/C10H14ClNOS/c11-10-7(4-5-14-10)6-12-8-2-1-3-9(8)13/h4-5,8-9,12-13H,1-3,6H2/t8-,9-/m0/s1
InChIKeyXWWPAXTVPDGZCO-IUCAKERBSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130835205
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-[(3-methoxythiophen-2-yl)methylamino]cyclopentan-1-ol
CID 115710956
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile
CID 115768010
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol (CID 130698269) is trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCc1ccsc1Cl.
What is the InChIKey of trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol?
The InChIKey is XWWPAXTVPDGZCO-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-10-7(4-5-14-10)6-12-8-2-1-3-9(8)13/h4-5,8-9,12-13H,1-3,6H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol has a molecular weight of 231.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 130698269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).