4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one

C14H25NOS — CID 62613357

IUPAC4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C14H25NOS/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-17-10-13/h11-13H,3-10H2,1-2H3
InChIKeySNVBWESBTFFOMV-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.82
Rot. Bonds4

About 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one

4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one (PubChem CID 62613357) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one
PubChem CID62613357
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C14H25NOS/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-17-10-13/h11-13H,3-10H2,1-2H3
InChIKeySNVBWESBTFFOMV-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one (CID 62613357) is 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)C2CCSC2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is SNVBWESBTFFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-17-10-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 255.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).