2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine

C12H21N3O4S2 — CID 110106240

IUPAC2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-9(2)21(18,19)15-7-5-4-6-10(15)12-11(8-13-14-12)20(3,16)17/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAKSIYBFFKFAUAF-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.08
Rot. Bonds4

About 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine

2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine (PubChem CID 110106240) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
PubChem CID110106240
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-9(2)21(18,19)15-7-5-4-6-10(15)12-11(8-13-14-12)20(3,16)17/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAKSIYBFFKFAUAF-UHFFFAOYSA-N
XLogP1.08
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine (CID 110106240) is 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O.
What is the InChIKey of 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine?
The InChIKey is AKSIYBFFKFAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-9(2)21(18,19)15-7-5-4-6-10(15)12-11(8-13-14-12)20(3,16)17/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine?
2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine has a molecular weight of 335.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 110106240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).