1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol

C12H23NOS — CID 79949972

IUPAC1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(NCC2(O)CCCCC2)CS1
InChIInChI=1S/C12H23NOS/c1-10-7-11(8-15-10)13-9-12(14)5-3-2-4-6-12/h10-11,13-14H,2-9H2,1H3
InChIKeyWKHLLBYHKBXZQR-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.17
Rot. Bonds3

About 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol

1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79949972) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79949972
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(NCC2(O)CCCCC2)CS1
InChIInChI=1S/C12H23NOS/c1-10-7-11(8-15-10)13-9-12(14)5-3-2-4-6-12/h10-11,13-14H,2-9H2,1H3
InChIKeyWKHLLBYHKBXZQR-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 79949972) is 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol is CC1CC(NCC2(O)CCCCC2)CS1.
What is the InChIKey of 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WKHLLBYHKBXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-7-11(8-15-10)13-9-12(14)5-3-2-4-6-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79949972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).