[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol

C13H21NO3S — CID 110009651

IUPAC[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
SMILESCN(CCCS(C)(=O)=O)Cc1ccc(CO)cc1
InChIInChI=1S/C13H21NO3S/c1-14(8-3-9-18(2,16)17)10-12-4-6-13(11-15)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyHBLPZKBYRJRHDC-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.05
Rot. Bonds7

About [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol

[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol (PubChem CID 110009651) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
PubChem CID110009651
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
SMILESCN(CCCS(C)(=O)=O)Cc1ccc(CO)cc1
InChIInChI=1S/C13H21NO3S/c1-14(8-3-9-18(2,16)17)10-12-4-6-13(11-15)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyHBLPZKBYRJRHDC-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
CID 110009684
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507
[6-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849577
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
CID 110009104
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol
CID 110009214
N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
CID 63190884
2-bromo-4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 79864416

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol (CID 110009651) is [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol is CN(CCCS(C)(=O)=O)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol?
The InChIKey is HBLPZKBYRJRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-14(8-3-9-18(2,16)17)10-12-4-6-13(11-15)7-5-12/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol?
[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol has a molecular weight of 271.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 110009651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).