N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide

C14H23N3O2S — CID 128511768

IUPACN-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-17-14(7-8-15-17)20(18,19)16-10-12-9-13(12)11-5-3-2-4-6-11/h7-8,11-13,16H,2-6,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyDIAROBSWTHSNBS-STQMWFEESA-N
MW297.42 g/mol
LogP1.91
Rot. Bonds5

About N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide

N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 128511768) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
PubChem CID128511768
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-17-14(7-8-15-17)20(18,19)16-10-12-9-13(12)11-5-3-2-4-6-11/h7-8,11-13,16H,2-6,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyDIAROBSWTHSNBS-STQMWFEESA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide (CID 128511768) is N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC[C@@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is DIAROBSWTHSNBS-STQMWFEESA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17-14(7-8-15-17)20(18,19)16-10-12-9-13(12)11-5-3-2-4-6-11/h7-8,11-13,16H,2-6,9-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 128511768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).