2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol

C14H23NO2S — CID 93166076

IUPAC2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCC(C)(O)CN(Cc1ccsc1)C[C@H]1CCCO1
InChIInChI=1S/C14H23NO2S/c1-14(2,16)11-15(8-12-5-7-18-10-12)9-13-4-3-6-17-13/h5,7,10,13,16H,3-4,6,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyJUBDQUDFMKDNJN-CYBMUJFWSA-N
MW269.41 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol

2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 93166076) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID93166076
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCC(C)(O)CN(Cc1ccsc1)C[C@H]1CCCO1
InChIInChI=1S/C14H23NO2S/c1-14(2,16)11-15(8-12-5-7-18-10-12)9-13-4-3-6-17-13/h5,7,10,13,16H,3-4,6,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyJUBDQUDFMKDNJN-CYBMUJFWSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93147229
methyl 6-[[oxolan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylate
CID 46997202
5-[5-[[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93193958
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 124749223
2-methyl-1-[(3-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]but-3-en-2-ol
CID 24714217
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
CID 24714891
3-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)urea
CID 100676621
1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine
CID 46986544
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 99930542
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97456365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol (CID 93166076) is 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol is CC(C)(O)CN(Cc1ccsc1)C[C@H]1CCCO1.
What is the InChIKey of 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is JUBDQUDFMKDNJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-14(2,16)11-15(8-12-5-7-18-10-12)9-13-4-3-6-17-13/h5,7,10,13,16H,3-4,6,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 93166076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).