(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol

C16H29N3O3S — CID 98878106

IUPAC(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C16H29N3O3S/c1-11(2)9-19-13(4)16(12(3)17-19)23(21,22)18-8-6-7-15(10-18)14(5)20/h11,14-15,20H,6-10H2,1-5H3/t14-,15+/m0/s1
InChIKeyVXAFVLWHLPKCQI-LSDHHAIUSA-N
MW343.49 g/mol
LogP1.94
Rot. Bonds5

About (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol

(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol (PubChem CID 98878106) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol
PubChem CID98878106
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C16H29N3O3S/c1-11(2)9-19-13(4)16(12(3)17-19)23(21,22)18-8-6-7-15(10-18)14(5)20/h11,14-15,20H,6-10H2,1-5H3/t14-,15+/m0/s1
InChIKeyVXAFVLWHLPKCQI-LSDHHAIUSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol (CID 98878106) is (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)O)C1.
What is the InChIKey of (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol?
The InChIKey is VXAFVLWHLPKCQI-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-11(2)9-19-13(4)16(12(3)17-19)23(21,22)18-8-6-7-15(10-18)14(5)20/h11,14-15,20H,6-10H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol?
(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol has a molecular weight of 343.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 98878106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).