4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol

C14H23NO2S — CID 106125741

IUPAC4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCSCc1ccc(CNCC2CCC(O)CC2)o1
InChIInChI=1S/C14H23NO2S/c1-18-10-14-7-6-13(17-14)9-15-8-11-2-4-12(16)5-3-11/h6-7,11-12,15-16H,2-5,8-10H2,1H3
InChIKeyJVHRWSHFTUFHEF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.78
Rot. Bonds6

About 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol

4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 106125741) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID106125741
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCSCc1ccc(CNCC2CCC(O)CC2)o1
InChIInChI=1S/C14H23NO2S/c1-18-10-14-7-6-13(17-14)9-15-8-11-2-4-12(16)5-3-11/h6-7,11-12,15-16H,2-5,8-10H2,1H3
InChIKeyJVHRWSHFTUFHEF-UHFFFAOYSA-N
XLogP2.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106126527
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 61011504
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
N'-cyclopropyl-N'-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 62976641
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
3-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270923
2-(4-methylpiperidin-1-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 60957810
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 106125741) is 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol is CSCc1ccc(CNCC2CCC(O)CC2)o1.
What is the InChIKey of 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is JVHRWSHFTUFHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-18-10-14-7-6-13(17-14)9-15-8-11-2-4-12(16)5-3-11/h6-7,11-12,15-16H,2-5,8-10H2,1H3.
What are the key properties of 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).