trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol

C10H21NO2S — CID 106246971

IUPACtrans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
SMILESCSCC(C)(O)CN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H21NO2S/c1-10(13,7-14-2)6-11-8-4-3-5-9(8)12/h8-9,11-13H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyIMGBBBZIAHMDCY-XMCUXHSSSA-N
MW219.35 g/mol
LogP0.60
Rot. Bonds5

About trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol (PubChem CID 106246971) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
PubChem CID106246971
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nametrans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
SMILESCSCC(C)(O)CN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H21NO2S/c1-10(13,7-14-2)6-11-8-4-3-5-9(8)12/h8-9,11-13H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyIMGBBBZIAHMDCY-XMCUXHSSSA-N
XLogP0.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol (CID 106246971) is trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol is CSCC(C)(O)CN[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
The InChIKey is IMGBBBZIAHMDCY-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(13,7-14-2)6-11-8-4-3-5-9(8)12/h8-9,11-13H,3-7H2,1-2H3/t8-,9-,10?/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 106246971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).