1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol

C15H25NOS — CID 113384910

IUPAC1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-14(2,3)16-10-12-6-8-13(9-7-12)18-11-15(4,5)17/h6-9,16-17H,10-11H2,1-5H3
InChIKeyKHABLQKZWNAERD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol

1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol (PubChem CID 113384910) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
PubChem CID113384910
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-14(2,3)16-10-12-6-8-13(9-7-12)18-11-15(4,5)17/h6-9,16-17H,10-11H2,1-5H3
InChIKeyKHABLQKZWNAERD-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-[(tert-butylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497082
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2,3-dimethylbutan-2-ol
CID 114497084
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
ethyl 2-[4-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 63808211
2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63806927
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2,3-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 114497087
2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132728
1-[4-[(tert-butylamino)methyl]phenyl]-4,4-dimethylpentane-2-thione
CID 147695400
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol (CID 113384910) is 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol is CC(C)(O)CSc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol?
The InChIKey is KHABLQKZWNAERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-14(2,3)16-10-12-6-8-13(9-7-12)18-11-15(4,5)17/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol?
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 113384910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).