3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol

C11H15NOS — CID 91255873

IUPAC3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESC=C=CN(C)CCC(O)c1cccs1
InChIInChI=1S/C11H15NOS/c1-3-7-12(2)8-6-10(13)11-5-4-9-14-11/h4-5,7,9-10,13H,1,6,8H2,2H3
InChIKeyQBCHEBBNVPBMND-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.40
Rot. Bonds5

About 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol

3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol (PubChem CID 91255873) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol
PubChem CID91255873
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESC=C=CN(C)CCC(O)c1cccs1
InChIInChI=1S/C11H15NOS/c1-3-7-12(2)8-6-10(13)11-5-4-9-14-11/h4-5,7,9-10,13H,1,6,8H2,2H3
InChIKeyQBCHEBBNVPBMND-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
2,2,2-trichloroethyl N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylcarbamate
CID 91317945
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 116504809
2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol
CID 3076675
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium
CID 58297769

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol (CID 91255873) is 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol is C=C=CN(C)CCC(O)c1cccs1.
What is the InChIKey of 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is QBCHEBBNVPBMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-7-12(2)8-6-10(13)11-5-4-9-14-11/h4-5,7,9-10,13H,1,6,8H2,2H3.
What are the key properties of 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol?
3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 209.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propa-1,2-dienyl)amino]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 91255873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).