[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol

C15H23NO3S — CID 110009027

IUPAC[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol
SMILESCC(CS(C)(=O)=O)N(Cc1ccc(CO)cc1)C1CC1
InChIInChI=1S/C15H23NO3S/c1-12(11-20(2,18)19)16(15-7-8-15)9-13-3-5-14(10-17)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyCRSMJLUIWSVMKX-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.58
Rot. Bonds7

About [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol

[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol (PubChem CID 110009027) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol
PubChem CID110009027
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol
SMILESCC(CS(C)(=O)=O)N(Cc1ccc(CO)cc1)C1CC1
InChIInChI=1S/C15H23NO3S/c1-12(11-20(2,18)19)16(15-7-8-15)9-13-3-5-14(10-17)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyCRSMJLUIWSVMKX-UHFFFAOYSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol (CID 110009027) is [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol is CC(CS(C)(=O)=O)N(Cc1ccc(CO)cc1)C1CC1.
What is the InChIKey of [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is CRSMJLUIWSVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(11-20(2,18)19)16(15-7-8-15)9-13-3-5-14(10-17)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol?
[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 297.42 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 110009027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).