1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol

C12H19NO2S — CID 115751394

IUPAC1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCC1OCCC1NCC(C)(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-9-10(5-6-15-9)13-8-12(2,14)11-4-3-7-16-11/h3-4,7,9-10,13-14H,5-6,8H2,1-2H3
InChIKeySXZNARLASMNKIP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.72
Rot. Bonds4

About 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol

1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 115751394) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID115751394
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCC1OCCC1NCC(C)(O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-9-10(5-6-15-9)13-8-12(2,14)11-4-3-7-16-11/h3-4,7,9-10,13-14H,5-6,8H2,1-2H3
InChIKeySXZNARLASMNKIP-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol with MolForge

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Related Compounds

2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115689454
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
CID 124861861
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95983382
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol (CID 115751394) is 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol is CC1OCCC1NCC(C)(O)c1cccs1.
What is the InChIKey of 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is SXZNARLASMNKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9-10(5-6-15-9)13-8-12(2,14)11-4-3-7-16-11/h3-4,7,9-10,13-14H,5-6,8H2,1-2H3.
What are the key properties of 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol?
1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 115751394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).