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

C16H21NO2S — CID 103880591

IUPAC2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H21NO2S/c1-2-16(11-18,12-19)17-10-14-8-9-15(20-14)13-6-4-3-5-7-13/h3-9,17-19H,2,10-12H2,1H3
InChIKeyNIBCNSRLELHDQW-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.64
Rot. Bonds7

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

2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol (PubChem CID 103880591) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol
PubChem CID103880591
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H21NO2S/c1-2-16(11-18,12-19)17-10-14-8-9-15(20-14)13-6-4-3-5-7-13/h3-9,17-19H,2,10-12H2,1H3
InChIKeyNIBCNSRLELHDQW-UHFFFAOYSA-N
XLogP2.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol with MolForge

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Related Compounds

2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
2-Thenylamine, N-(alpha-methylphenethyl)-, acetate, (+)-
CID 121570
2-Methyl-2-{[(3-methylthiophen-2-YL)methyl]amino}propan-1-OL
CID 834041
2-{[(5-Methylthiophen-2-yl)methyl]amino}-1-phenylethanol
CID 4720463
N-[(5-phenylthiophen-2-yl)methyl]heptan-2-amine
CID 43222955
1-{[(4-Fluorophenyl)methyl][(5-methylthiophen-2-YL)methyl]amino}pentan-2-OL
CID 46007501
1-{(4-Fluorobenzyl)[(5-methyl-2-thienyl)methyl]amino}-5-hexen-2-ol
CID 46007505
4-[[5-(4-Fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol
CID 47018366
2-[(3-Methyl-1-thiophen-2-ylbutyl)amino]propane-1,3-diol
CID 75428432
2-(1-Benzothiophen-2-ylmethylamino)-2-methylpropane-1,3-diol
CID 84600330
4-(3,5-Difluorophenyl)-1-[[1-(5-propan-2-ylthiophen-3-yl)cyclohexyl]amino]butan-2-ol
CID 59599248
4-(3,5-Difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 59599265

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol (CID 103880591) is 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol?
The InChIKey is NIBCNSRLELHDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-16(11-18,12-19)17-10-14-8-9-15(20-14)13-6-4-3-5-7-13/h3-9,17-19H,2,10-12H2,1H3.
What are the key properties of 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol has a molecular weight of 291.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 103880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).