2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol

C16H25NO3S — CID 61047112

IUPAC2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol
SMILESCC(CO)(NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO3S/c1-16(12-18,17-14-6-4-3-5-7-14)13-8-10-15(11-9-13)21(2,19)20/h8-11,14,17-18H,3-7,12H2,1-2H3
InChIKeyLTJXHPNYCOYJEV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.22
Rot. Bonds5

About 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol

2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol (PubChem CID 61047112) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol
PubChem CID61047112
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol
SMILESCC(CO)(NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H25NO3S/c1-16(12-18,17-14-6-4-3-5-7-14)13-8-10-15(11-9-13)21(2,19)20/h8-11,14,17-18H,3-7,12H2,1-2H3
InChIKeyLTJXHPNYCOYJEV-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Amino-2-(4-methanesulfonylphenyl)ethan-1-ol
CID 77130023
(3S,4S,5R)-3-benzyl-1,1-dioxo-5-[(3-propan-2-ylphenyl)methylamino]thian-4-ol
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N-(2-Methoxyethyl)-N-(1-(4-(methylsulfonyl)phenyl)ethyl)amine
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(2S)-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylthio)-1,1'-biphenyl-4-yl]ethyl}amino)pentan-1-ol
CID 11502160
(1R,2S)-2-(benzhydrylamino)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 56834515
Benzene, 1-(1-hydroxy-2-isopropylamino)ethyl-4-methylsulphonyl-
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(1R,2R)-2-(benzylamino)-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 102410492
2-{[4-(Methylsulfanyl)benzyl]amino}-1-phenylpropan-1-ol
CID 2975064
2-{[4-(Methylsulfanyl)benzyl]amino}-1-phenylethanol
CID 2984279
4-[1-(4-Methylsulfonylphenyl)ethylamino]cyclohexan-1-ol
CID 43193965

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol (CID 61047112) is 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol is CC(CO)(NC1CCCCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol?
The InChIKey is LTJXHPNYCOYJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-16(12-18,17-14-6-4-3-5-7-14)13-8-10-15(11-9-13)21(2,19)20/h8-11,14,17-18H,3-7,12H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol?
2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol has a molecular weight of 311.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 61047112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).