3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol

C15H25NO2S — CID 79670946

IUPAC3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
SMILESCCCc1ccc(C(CSCC(O)CO)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-3-4-12-5-7-13(8-6-12)15(16-2)11-19-10-14(18)9-17/h5-8,14-18H,3-4,9-11H2,1-2H3
InChIKeyMATDFHBNYXYYRZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.99
Rot. Bonds9

About 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol

3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol (PubChem CID 79670946) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
PubChem CID79670946
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
SMILESCCCc1ccc(C(CSCC(O)CO)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-3-4-12-5-7-13(8-6-12)15(16-2)11-19-10-14(18)9-17/h5-8,14-18H,3-4,9-11H2,1-2H3
InChIKeyMATDFHBNYXYYRZ-UHFFFAOYSA-N
XLogP1.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012
3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylpropane-1,2-diol
CID 79671248
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol (CID 79670946) is 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol is CCCc1ccc(C(CSCC(O)CO)NC)cc1.
What is the InChIKey of 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol?
The InChIKey is MATDFHBNYXYYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-4-12-5-7-13(8-6-12)15(16-2)11-19-10-14(18)9-17/h5-8,14-18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol?
3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol has a molecular weight of 283.44 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 79670946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).