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

C13H25NOS — CID 79950093

IUPAC4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CSC(C)C2)CC1
InChIInChI=1S/C13H25NOS/c1-10-3-5-13(15,6-4-10)9-14-12-7-11(2)16-8-12/h10-12,14-15H,3-9H2,1-2H3
InChIKeyPRAOTXNCMJIDQG-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol

4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79950093) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79950093
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CSC(C)C2)CC1
InChIInChI=1S/C13H25NOS/c1-10-3-5-13(15,6-4-10)9-14-12-7-11(2)16-8-12/h10-12,14-15H,3-9H2,1-2H3
InChIKeyPRAOTXNCMJIDQG-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 79950093) is 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNC2CSC(C)C2)CC1.
What is the InChIKey of 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is PRAOTXNCMJIDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-3-5-13(15,6-4-10)9-14-12-7-11(2)16-8-12/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79950093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).