trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine

C9H20N2O2S — CID 138598355

IUPACtrans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1N1CCCS1(O)O
InChIInChI=1S/C9H20N2O2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h8-9,12-13H,1-7,10H2/t8-,9-/m1/s1
InChIKeyTYBZWIQATFIMRD-RKDXNWHRSA-N
MW220.34 g/mol
LogP1.63
Rot. Bonds1

About trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine

trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine (PubChem CID 138598355) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine
PubChem CID138598355
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Nametrans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1N1CCCS1(O)O
InChIInChI=1S/C9H20N2O2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h8-9,12-13H,1-7,10H2/t8-,9-/m1/s1
InChIKeyTYBZWIQATFIMRD-RKDXNWHRSA-N
XLogP1.63
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,2-thiazolidin-2-yl)cycloheptan-1-amine
CID 63258373
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
2-(4-cyclopentylpiperazin-1-yl)cyclohexan-1-amine
CID 62368613
2-(8-azaspiro[4.5]decan-8-yl)cycloheptan-1-amine
CID 63160830
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cycloheptan-1-amine
CID 65321124
2-(2-methylpyrrolidin-1-yl)cyclooctan-1-amine
CID 60973336
2-(3-tert-butylpyrrolidin-1-yl)cycloheptan-1-amine
CID 113417233
trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 94388428
2-(2,3-dimethylpiperidin-1-yl)cyclohexan-1-amine
CID 62124610
2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62987288
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine (CID 138598355) is trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1N1CCCS1(O)O.
What is the InChIKey of trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
The InChIKey is TYBZWIQATFIMRD-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h8-9,12-13H,1-7,10H2/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine has a molecular weight of 220.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 138598355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).