[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol

C13H25NO3S — CID 55055468

IUPAC[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol
SMILESCN(CC1(CO)CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO3S/c1-14(12-5-8-18(16,17)9-12)10-13(11-15)6-3-2-4-7-13/h12,15H,2-11H2,1H3
InChIKeyYBBRXZYTUNZMDA-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.05
Rot. Bonds4

About [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol

[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol (PubChem CID 55055468) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol
PubChem CID55055468
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol
SMILESCN(CC1(CO)CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO3S/c1-14(12-5-8-18(16,17)9-12)10-13(11-15)6-3-2-4-7-13/h12,15H,2-11H2,1H3
InChIKeyYBBRXZYTUNZMDA-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanol
CID 55055324
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 55094438
[1-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol
CID 62271285
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-2-ethylbutan-1-ol
CID 62272217
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol
CID 62272218
[1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol
CID 62272219
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62608846
4-Tert-butyl-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 62608847
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
CID 62609025
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 62611462
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 62611463
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62709072

Frequently Asked Questions

What is the IUPAC name of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol (CID 55055468) is [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol is CN(CC1(CO)CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol?
The InChIKey is YBBRXZYTUNZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-14(12-5-8-18(16,17)9-12)10-13(11-15)6-3-2-4-7-13/h12,15H,2-11H2,1H3.
What are the key properties of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol?
[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol has a molecular weight of 275.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 55055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).