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

C11H21NO3S — CID 65210845

IUPAC1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1(NCC2(O)CCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10(6-7-16(14,15)9-10)12-8-11(13)4-2-3-5-11/h12-13H,2-9H2,1H3
InChIKeyCOPNXUYGMWKNKS-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.46
Rot. Bonds3

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

1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65210845) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65210845
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1(NCC2(O)CCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-10(6-7-16(14,15)9-10)12-8-11(13)4-2-3-5-11/h12-13H,2-9H2,1H3
InChIKeyCOPNXUYGMWKNKS-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol (CID 65210845) is 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol is CC1(NCC2(O)CCCC2)CCS(=O)(=O)C1.
What is the InChIKey of 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is COPNXUYGMWKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10(6-7-16(14,15)9-10)12-8-11(13)4-2-3-5-11/h12-13H,2-9H2,1H3.
What are the key properties of 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).