2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol

C11H21NO3S — CID 62608848

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1CCCC1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-12(7-9-3-2-4-11(9)13)10-5-6-16(14,15)8-10/h9-11,13H,2-8H2,1H3
InChIKeyJZKRHMNHYMDZHV-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.27
Rot. Bonds3

About 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 62608848) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID62608848
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1CCCC1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-12(7-9-3-2-4-11(9)13)10-5-6-16(14,15)8-10/h9-11,13H,2-8H2,1H3
InChIKeyJZKRHMNHYMDZHV-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol (CID 62608848) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1CCCC1O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is JZKRHMNHYMDZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-12(7-9-3-2-4-11(9)13)10-5-6-16(14,15)8-10/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 62608848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).