2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol

C10H17NO2S — CID 115724134

IUPAC2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
SMILESCC(Cc1ccsc1)NC(CO)CO
InChIInChI=1S/C10H17NO2S/c1-8(11-10(5-12)6-13)4-9-2-3-14-7-9/h2-3,7-8,10-13H,4-6H2,1H3
InChIKeyCYLOSRSNLRKSHN-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.62
Rot. Bonds6

About 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol

2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol (PubChem CID 115724134) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
PubChem CID115724134
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
SMILESCC(Cc1ccsc1)NC(CO)CO
InChIInChI=1S/C10H17NO2S/c1-8(11-10(5-12)6-13)4-9-2-3-14-7-9/h2-3,7-8,10-13H,4-6H2,1H3
InChIKeyCYLOSRSNLRKSHN-UHFFFAOYSA-N
XLogP0.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473217
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
4-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]benzonitrile
CID 61473442

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol (CID 115724134) is 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol is CC(Cc1ccsc1)NC(CO)CO.
What is the InChIKey of 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol?
The InChIKey is CYLOSRSNLRKSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8(11-10(5-12)6-13)4-9-2-3-14-7-9/h2-3,7-8,10-13H,4-6H2,1H3.
What are the key properties of 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol?
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol has a molecular weight of 215.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 115724134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).