4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol

C13H25NOS — CID 65117892

IUPAC4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCSCC2)CC1
InChIInChI=1S/C13H25NOS/c1-11-2-6-13(15,7-3-11)10-14-12-4-8-16-9-5-12/h11-12,14-15H,2-10H2,1H3
InChIKeyMFWBXBHXWPFZBJ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65117892) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID65117892
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCSCC2)CC1
InChIInChI=1S/C13H25NOS/c1-11-2-6-13(15,7-3-11)10-14-12-4-8-16-9-5-12/h11-12,14-15H,2-10H2,1H3
InChIKeyMFWBXBHXWPFZBJ-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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Related Compounds

1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
1-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 106658812
4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol
CID 126846027
4-methyl-1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 65117458
1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115804
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115554
4-amino-1-[(cyclopropylamino)methyl]cyclohexan-1-ol
CID 105441357
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol (CID 65117892) is 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNC2CCSCC2)CC1.
What is the InChIKey of 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is MFWBXBHXWPFZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-11-2-6-13(15,7-3-11)10-14-12-4-8-16-9-5-12/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(thian-4-ylamino)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-[(thian-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65117892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).