2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol

C15H29NO3S — CID 62608846

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H29NO3S/c1-3-4-12-5-6-15(17)13(9-12)10-16(2)14-7-8-20(18,19)11-14/h12-15,17H,3-11H2,1-2H3
InChIKeyWPHLPXCCTJUXSB-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.68
Rot. Bonds5

About 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62608846) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62608846
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H29NO3S/c1-3-4-12-5-6-15(17)13(9-12)10-16(2)14-7-8-20(18,19)11-14/h12-15,17H,3-11H2,1-2H3
InChIKeyWPHLPXCCTJUXSB-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol with MolForge

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Related Compounds

4-Methyl-2-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 136540141
[1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexyl]methanol
CID 55055468
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 55094296
2-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 55094340
2-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 55094438
4-Tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 55094815
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-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62610071
4-Methyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62610072
4-Ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 62610242
2-[[Methyl(thiolan-3-yl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62610243

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol (CID 62608846) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is WPHLPXCCTJUXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-3-4-12-5-6-15(17)13(9-12)10-16(2)14-7-8-20(18,19)11-14/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 303.47 g/mol, XLogP of 1.68, 5 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]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62608846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).