[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol

C15H23NOS — CID 81410870

IUPAC[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
SMILESCSc1cccc(NCC2(CO)CCCCC2)c1
InChIInChI=1S/C15H23NOS/c1-18-14-7-5-6-13(10-14)16-11-15(12-17)8-3-2-4-9-15/h5-7,10,16-17H,2-4,8-9,11-12H2,1H3
InChIKeyZIWONADHNYUORA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.76
Rot. Bonds5

About [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol

[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol (PubChem CID 81410870) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
PubChem CID81410870
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
SMILESCSc1cccc(NCC2(CO)CCCCC2)c1
InChIInChI=1S/C15H23NOS/c1-18-14-7-5-6-13(10-14)16-11-15(12-17)8-3-2-4-9-15/h5-7,10,16-17H,2-4,8-9,11-12H2,1H3
InChIKeyZIWONADHNYUORA-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 81419673
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol (CID 81410870) is [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol is CSc1cccc(NCC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol?
The InChIKey is ZIWONADHNYUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-14-7-5-6-13(10-14)16-11-15(12-17)8-3-2-4-9-15/h5-7,10,16-17H,2-4,8-9,11-12H2,1H3.
What are the key properties of [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol?
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol has a molecular weight of 265.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81410870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).