1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol

C15H25NOS — CID 113317839

IUPAC1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)CNC(C)(C)C)c(C)c1
InChIInChI=1S/C15H25NOS/c1-11-6-7-14(12(2)8-11)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeyMYGWUFSGFUNZSN-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.14
Rot. Bonds5

About 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol

1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol (PubChem CID 113317839) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol
PubChem CID113317839
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)CNC(C)(C)C)c(C)c1
InChIInChI=1S/C15H25NOS/c1-11-6-7-14(12(2)8-11)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeyMYGWUFSGFUNZSN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol (CID 113317839) is 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(O)CNC(C)(C)C)c(C)c1.
What is the InChIKey of 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol?
The InChIKey is MYGWUFSGFUNZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-6-7-14(12(2)8-11)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol?
1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 113317839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).