1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol

C14H21NOS — CID 60899212

IUPAC1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
SMILESCSc1ccc(NCC2(O)CCCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-17-13-7-5-12(6-8-13)15-11-14(16)9-3-2-4-10-14/h5-8,15-16H,2-4,9-11H2,1H3
InChIKeyMWMZNUTYFFEPPO-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.52
Rot. Bonds4

About 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol

1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol (PubChem CID 60899212) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
PubChem CID60899212
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
SMILESCSc1ccc(NCC2(O)CCCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-17-13-7-5-12(6-8-13)15-11-14(16)9-3-2-4-10-14/h5-8,15-16H,2-4,9-11H2,1H3
InChIKeyMWMZNUTYFFEPPO-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
CID 126846856
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-[(4-morpholin-4-ylanilino)methyl]cyclohexan-1-ol
CID 63180472
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 65110379
N'-hydroxy-2-[1-[(4-methylsulfanylanilino)methyl]cyclopropyl]ethanimidamide
CID 77071500
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol (CID 60899212) is 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol is CSc1ccc(NCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol?
The InChIKey is MWMZNUTYFFEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-17-13-7-5-12(6-8-13)15-11-14(16)9-3-2-4-10-14/h5-8,15-16H,2-4,9-11H2,1H3.
What are the key properties of 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol?
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60899212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).