trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol

C10H19NO2S — CID 102734094

IUPACtrans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol
SMILESO=S1CCC(N[C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C10H19NO2S/c12-10-3-1-2-9(10)11-8-4-6-14(13)7-5-8/h8-12H,1-7H2/t8?,9-,10-,14?/m0/s1
InChIKeyXCVUCPUKVSAGFH-USQDWFKJSA-N
MW217.33 g/mol
LogP0.40
Rot. Bonds2

About trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol (PubChem CID 102734094) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol
PubChem CID102734094
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nametrans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol
SMILESO=S1CCC(N[C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C10H19NO2S/c12-10-3-1-2-9(10)11-8-4-6-14(13)7-5-8/h8-12H,1-7H2/t8?,9-,10-,14?/m0/s1
InChIKeyXCVUCPUKVSAGFH-USQDWFKJSA-N
XLogP0.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733566
2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
CID 131160518
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928655
4-[(2-hydroxycyclohexyl)amino]piperidine-1-carboxamide
CID 55064221
N-[(1S,2S)-2-hydroxycyclopentyl]formamide
CID 57089664

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol (CID 102734094) is trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol is O=S1CCC(N[C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol?
The InChIKey is XCVUCPUKVSAGFH-USQDWFKJSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10-3-1-2-9(10)11-8-4-6-14(13)7-5-8/h8-12H,1-7H2/t8?,9-,10-,14?/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).