(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

C15H27N3O3S — CID 129006792

IUPAC(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCCS(=O)(=O)CC(C)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O3S/c1-6-22(19,20)9-10(2)16-13-7-8-21-15(13)14-11(3)17-18(5)12(14)4/h10,13,15-16H,6-9H2,1-5H3/t10?,13-,15-/m0/s1
InChIKeyDKKPEAKGFCALLI-PMTAXLFXSA-N
MW329.47 g/mol
LogP1.28
Rot. Bonds6

About (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (PubChem CID 129006792) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
PubChem CID129006792
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCCS(=O)(=O)CC(C)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O3S/c1-6-22(19,20)9-10(2)16-13-7-8-21-15(13)14-11(3)17-18(5)12(14)4/h10,13,15-16H,6-9H2,1-5H3/t10?,13-,15-/m0/s1
InChIKeyDKKPEAKGFCALLI-PMTAXLFXSA-N
XLogP1.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 154753423
(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 128974749
1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
CID 167896430
1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
CID 136586038
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129326780
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
1-[1-(oxolan-3-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128990703
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 154753476
2-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 128973060
1-[(1R)-1-(furan-2-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 129331100
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128975011

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (CID 129006792) is (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is CCS(=O)(=O)CC(C)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C.
What is the InChIKey of (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is DKKPEAKGFCALLI-PMTAXLFXSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-6-22(19,20)9-10(2)16-13-7-8-21-15(13)14-11(3)17-18(5)12(14)4/h10,13,15-16H,6-9H2,1-5H3/t10?,13-,15-/m0/s1.
What are the key properties of (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 329.47 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 129006792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).