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

C12H23NOS — CID 62610071

IUPAC2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCCCC1O)C1CCSC1
InChIInChI=1S/C12H23NOS/c1-13(11-6-7-15-9-11)8-10-4-2-3-5-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyCIWQZVHJLKLUDG-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.97
Rot. Bonds3

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

2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 62610071) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID62610071
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCCCC1O)C1CCSC1
InChIInChI=1S/C12H23NOS/c1-13(11-6-7-15-9-11)8-10-4-2-3-5-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyCIWQZVHJLKLUDG-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 62610071) is 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is CN(CC1CCCCC1O)C1CCSC1.
What is the InChIKey of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CIWQZVHJLKLUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-13(11-6-7-15-9-11)8-10-4-2-3-5-12(10)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).