1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol

C11H21NO2S — CID 65105738

IUPAC1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol
SMILESO=S1CCC(NCC2(O)CCCC2)CC1
InChIInChI=1S/C11H21NO2S/c13-11(5-1-2-6-11)9-12-10-3-7-15(14)8-4-10/h10,12-13H,1-9H2
InChIKeyWYMFLSOQRWVRKS-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.79
Rot. Bonds3

About 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65105738) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65105738
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol
SMILESO=S1CCC(NCC2(O)CCCC2)CC1
InChIInChI=1S/C11H21NO2S/c13-11(5-1-2-6-11)9-12-10-3-7-15(14)8-4-10/h10,12-13H,1-9H2
InChIKeyWYMFLSOQRWVRKS-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol (CID 65105738) is 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol is O=S1CCC(NCC2(O)CCCC2)CC1.
What is the InChIKey of 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is WYMFLSOQRWVRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c13-11(5-1-2-6-11)9-12-10-3-7-15(14)8-4-10/h10,12-13H,1-9H2.
What are the key properties of 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 231.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-oxothian-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).