2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol

C15H19NO2S — CID 66170674

IUPAC2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H19NO2S/c1-15(18,11-17)10-16-9-13-7-8-14(19-13)12-5-3-2-4-6-12/h2-8,16-18H,9-11H2,1H3
InChIKeyVDXAWUMHEPSHRA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.25
Rot. Bonds6

About 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol

2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol (PubChem CID 66170674) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol
PubChem CID66170674
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H19NO2S/c1-15(18,11-17)10-16-9-13-7-8-14(19-13)12-5-3-2-4-6-12/h2-8,16-18H,9-11H2,1H3
InChIKeyVDXAWUMHEPSHRA-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
2-hydroxy-2-methyl-3-[[5-(4-methylphenyl)thiophen-2-yl]methylamino]propanoic acid
CID 122040882
2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol
CID 103880591
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
methyl 2-[5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetate
CID 82894896
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
CID 61220745
3-[5-(ethylaminomethyl)thiophen-2-yl]benzoic acid
CID 84756409
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
2-[[[5-(3-chlorophenyl)thiophen-2-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122129148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol (CID 66170674) is 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol is CC(O)(CO)CNCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol?
The InChIKey is VDXAWUMHEPSHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(18,11-17)10-16-9-13-7-8-14(19-13)12-5-3-2-4-6-12/h2-8,16-18H,9-11H2,1H3.
What are the key properties of 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol?
2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol has a molecular weight of 277.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66170674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).