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

C12H23NO3S — CID 62611462

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCCCC1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO3S/c1-13(11-6-7-17(15,16)9-11)8-10-4-2-3-5-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyXKYQWIWRUBXPMJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.66
Rot. Bonds3

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

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol (PubChem CID 62611462) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
PubChem CID62611462
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCCCC1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO3S/c1-13(11-6-7-17(15,16)9-11)8-10-4-2-3-5-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyXKYQWIWRUBXPMJ-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.66
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]cyclohexan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol (CID 62611462) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol is CN(CC1CCCCC1O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is XKYQWIWRUBXPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-13(11-6-7-17(15,16)9-11)8-10-4-2-3-5-12(10)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 0.66, 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]cyclohexan-1-ol is sourced from PubChem (CID 62611462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).