1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide

C14H23N3O3S — CID 164639678

IUPAC1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C14H23N3O3S/c1-9-12(10(2)17(4)15-9)13-11(5-8-20-13)16-21(18,19)14(3)6-7-14/h11,13,16H,5-8H2,1-4H3/t11-,13-/m0/s1
InChIKeyVDYLUEVOYOVWDQ-AAEUAGOBSA-N
MW313.42 g/mol
LogP1.34
Rot. Bonds4

About 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide

1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide (PubChem CID 164639678) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide
PubChem CID164639678
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C14H23N3O3S/c1-9-12(10(2)17(4)15-9)13-11(5-8-20-13)16-21(18,19)14(3)6-7-14/h11,13,16H,5-8H2,1-4H3/t11-,13-/m0/s1
InChIKeyVDYLUEVOYOVWDQ-AAEUAGOBSA-N
XLogP1.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-((2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl)methanamine
CID 95970483
1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
CID 128993936
(2S)-1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
CID 129506531
(2R)-1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
CID 129506532
N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 71929265
[2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 73994632
(2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 91647714
(2R,3S)-2-(1,3,5-Trimethyl-1H-pyrazol-4-yl)tetrahydrofuran-3-amine
CID 91647715
[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95970482
[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95970484
[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95970485
N-[[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 96510805

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide (CID 164639678) is 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NS(=O)(=O)C1(C)CC1.
What is the InChIKey of 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide?
The InChIKey is VDYLUEVOYOVWDQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9-12(10(2)17(4)15-9)13-11(5-8-20-13)16-21(18,19)14(3)6-7-14/h11,13,16H,5-8H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide?
1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 164639678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).