N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide

C16H26N4O2S — CID 154756685

IUPACN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCn1nccc1[C@H]1[C@H](CNS(=O)(=O)C2CC2)CCCN1C1CC1
InChIInChI=1S/C16H26N4O2S/c1-19-15(8-9-17-19)16-12(3-2-10-20(16)13-4-5-13)11-18-23(21,22)14-6-7-14/h8-9,12-14,16,18H,2-7,10-11H2,1H3/t12-,16+/m0/s1
InChIKeyFHWPUPZRSZOTHT-BLLLJJGKSA-N
MW338.48 g/mol
LogP1.42
Rot. Bonds6

About N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 154756685) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID154756685
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCn1nccc1[C@H]1[C@H](CNS(=O)(=O)C2CC2)CCCN1C1CC1
InChIInChI=1S/C16H26N4O2S/c1-19-15(8-9-17-19)16-12(3-2-10-20(16)13-4-5-13)11-18-23(21,22)14-6-7-14/h8-9,12-14,16,18H,2-7,10-11H2,1H3/t12-,16+/m0/s1
InChIKeyFHWPUPZRSZOTHT-BLLLJJGKSA-N
XLogP1.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide (CID 154756685) is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide is Cn1nccc1[C@H]1[C@H](CNS(=O)(=O)C2CC2)CCCN1C1CC1.
What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is FHWPUPZRSZOTHT-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-19-15(8-9-17-19)16-12(3-2-10-20(16)13-4-5-13)11-18-23(21,22)14-6-7-14/h8-9,12-14,16,18H,2-7,10-11H2,1H3/t12-,16+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 154756685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).