trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol

C10H19NOS — CID 122237200

IUPACtrans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol
SMILESCC1(C)SCC1N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H19NOS/c1-10(2)9(6-13-10)11-7-4-3-5-8(7)12/h7-9,11-12H,3-6H2,1-2H3/t7-,8-,9?/m1/s1
InChIKeySYMYWBQYPSWNIN-ZAZKALAHSA-N
MW201.33 g/mol
LogP1.38
Rot. Bonds2

About trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol (PubChem CID 122237200) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol
PubChem CID122237200
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nametrans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol
SMILESCC1(C)SCC1N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H19NOS/c1-10(2)9(6-13-10)11-7-4-3-5-8(7)12/h7-9,11-12H,3-6H2,1-2H3/t7-,8-,9?/m1/s1
InChIKeySYMYWBQYPSWNIN-ZAZKALAHSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(2,2-dimethylcyclobutyl)amino]cyclopentan-1-ol
CID 122235783
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
N-[(1S,5R)-2-bicyclo[3.1.0]hexanyl]-2,2-dimethylthietan-3-amine
CID 130949352
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733867
trans-(1S,2S)-2-[(1-methylcyclopropyl)amino]cyclopentan-1-ol
CID 102734108
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol
CID 102952299

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol (CID 122237200) is trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol is CC1(C)SCC1N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol?
The InChIKey is SYMYWBQYPSWNIN-ZAZKALAHSA-N. The full InChI is InChI=1S/C10H19NOS/c1-10(2)9(6-13-10)11-7-4-3-5-8(7)12/h7-9,11-12H,3-6H2,1-2H3/t7-,8-,9?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol has a molecular weight of 201.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 122237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).