2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol

C10H17NO3S — CID 107852268

IUPAC2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
SMILESOCC(CO)(CO)NCCc1ccsc1
InChIInChI=1S/C10H17NO3S/c12-6-10(7-13,8-14)11-3-1-9-2-4-15-5-9/h2,4-5,11-14H,1,3,6-8H2
InChIKeyMNAAPWBCZNELBD-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.40
Rot. Bonds7

About 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol (PubChem CID 107852268) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
PubChem CID107852268
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
SMILESOCC(CO)(CO)NCCc1ccsc1
InChIInChI=1S/C10H17NO3S/c12-6-10(7-13,8-14)11-3-1-9-2-4-15-5-9/h2,4-5,11-14H,1,3,6-8H2
InChIKeyMNAAPWBCZNELBD-UHFFFAOYSA-N
XLogP-0.40
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
CID 65264366
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
3,3-dimethyl-4-(2-thiophen-3-ylethylamino)butan-1-ol
CID 106146521
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
4-thiophen-3-ylbutan-1-ol
CID 54222621
2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 79589134
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
2-(1,3-thiazol-2-yl)-N-(2-thiophen-3-ylethyl)propan-2-amine
CID 103714662
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
12-thiophen-3-yldodecan-1-ol
CID 67533520

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol (CID 107852268) is 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol is OCC(CO)(CO)NCCc1ccsc1.
What is the InChIKey of 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol?
The InChIKey is MNAAPWBCZNELBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-6-10(7-13,8-14)11-3-1-9-2-4-15-5-9/h2,4-5,11-14H,1,3,6-8H2.
What are the key properties of 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol has a molecular weight of 231.32 g/mol, XLogP of -0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol is sourced from PubChem (CID 107852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).