1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide

C16H25NO3S — CID 61453739

IUPAC1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
SMILESCC(c1ccccc1O)N(C)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-13(15-10-6-7-11-16(15)18)17(2)21(19,20)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKeyNCNADVNFDOSIQZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.30
Rot. Bonds5

About 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide

1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide (PubChem CID 61453739) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
PubChem CID61453739
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
SMILESCC(c1ccccc1O)N(C)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-13(15-10-6-7-11-16(15)18)17(2)21(19,20)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKeyNCNADVNFDOSIQZ-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
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N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242780
N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
CID 61043938
2-[1-(2-hydroxyphenyl)ethyl-methylsulfamoyl]propanoic acid
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2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide (CID 61453739) is 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide is CC(c1ccccc1O)N(C)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide?
The InChIKey is NCNADVNFDOSIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(15-10-6-7-11-16(15)18)17(2)21(19,20)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide?
1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 61453739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).