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

C14H27NO3S — CID 62611463

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H27NO3S/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-19(17,18)10-13/h11-14,16H,3-10H2,1-2H3
InChIKeyGIWCWSVOEYAGGV-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.29
Rot. Bonds4

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

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 62611463) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID62611463
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H27NO3S/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-19(17,18)10-13/h11-14,16H,3-10H2,1-2H3
InChIKeyGIWCWSVOEYAGGV-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.29
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]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol (CID 62611463) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is GIWCWSVOEYAGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-19(17,18)10-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 1.29, 4 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-ethylcyclohexan-1-ol is sourced from PubChem (CID 62611463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).