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

C14H27NOS — CID 62610242

IUPAC4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C14H27NOS/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-17-10-13/h11-14,16H,3-10H2,1-2H3
InChIKeySXTDVLMHQRRXKM-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.61
Rot. Bonds4

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

4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 62610242) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID62610242
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)C2CCSC2)C1
InChIInChI=1S/C14H27NOS/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-17-10-13/h11-14,16H,3-10H2,1-2H3
InChIKeySXTDVLMHQRRXKM-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-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
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-Ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 55094859
[1-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol
CID 62271285
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
4-Methyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609361
4-Ethyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609362
4-Propyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609363
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 62610242) is 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN(C)C2CCSC2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is SXTDVLMHQRRXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-3-11-4-5-14(16)12(8-11)9-15(2)13-6-7-17-10-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 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-ol is sourced from PubChem (CID 62610242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).