2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol

C11H21NO3S — CID 64928258

IUPAC2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NCC2CCCCC2O)C1
InChIInChI=1S/C11H21NO3S/c13-11-4-2-1-3-9(11)7-12-10-5-6-16(14,15)8-10/h9-13H,1-8H2
InChIKeyKCKCRALYZOZNQM-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.31
Rot. Bonds3

About 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol

2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64928258) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64928258
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NCC2CCCCC2O)C1
InChIInChI=1S/C11H21NO3S/c13-11-4-2-1-3-9(11)7-12-10-5-6-16(14,15)8-10/h9-13H,1-8H2
InChIKeyKCKCRALYZOZNQM-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 64928258) is 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol is O=S1(=O)CCC(NCC2CCCCC2O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KCKCRALYZOZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11-4-2-1-3-9(11)7-12-10-5-6-16(14,15)8-10/h9-13H,1-8H2.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).