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

C10H19NO3S — CID 65105845

IUPAC1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESO=S1(=O)CCC(NCC2(O)CCCC2)C1
InChIInChI=1S/C10H19NO3S/c12-10(4-1-2-5-10)8-11-9-3-6-15(13,14)7-9/h9,11-12H,1-8H2
InChIKeyNXAKVGFDAHUPQK-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.07
Rot. Bonds3

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

1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65105845) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65105845
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESO=S1(=O)CCC(NCC2(O)CCCC2)C1
InChIInChI=1S/C10H19NO3S/c12-10(4-1-2-5-10)8-11-9-3-6-15(13,14)7-9/h9,11-12H,1-8H2
InChIKeyNXAKVGFDAHUPQK-UHFFFAOYSA-N
XLogP0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol (CID 65105845) is 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol is O=S1(=O)CCC(NCC2(O)CCCC2)C1.
What is the InChIKey of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is NXAKVGFDAHUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10(4-1-2-5-10)8-11-9-3-6-15(13,14)7-9/h9,11-12H,1-8H2.
What are the key properties of 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol?
1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 233.33 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).