(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine

C15H21N3O3S — CID 129421234

IUPAC(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cn1
InChIInChI=1S/C15H21N3O3S/c1-3-17-11-13(10-16-17)22(19,20)18-7-6-12(2)9-14(18)15-5-4-8-21-15/h4-5,8,10-12,14H,3,6-7,9H2,1-2H3/t12-,14-/m0/s1
InChIKeyACBOLVABWVBVTA-JSGCOSHPSA-N
MW323.42 g/mol
LogP2.66
Rot. Bonds4

About (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine

(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine (PubChem CID 129421234) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine
PubChem CID129421234
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cn1
InChIInChI=1S/C15H21N3O3S/c1-3-17-11-13(10-16-17)22(19,20)18-7-6-12(2)9-14(18)15-5-4-8-21-15/h4-5,8,10-12,14H,3,6-7,9H2,1-2H3/t12-,14-/m0/s1
InChIKeyACBOLVABWVBVTA-JSGCOSHPSA-N
XLogP2.66
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine?
The IUPAC name of (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine (CID 129421234) is (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine.
What is the SMILES notation for (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine?
The canonical SMILES for (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine is CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cn1.
What is the InChIKey of (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine?
The InChIKey is ACBOLVABWVBVTA-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-17-11-13(10-16-17)22(19,20)18-7-6-12(2)9-14(18)15-5-4-8-21-15/h4-5,8,10-12,14H,3,6-7,9H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine?
(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine has a molecular weight of 323.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine is sourced from PubChem (CID 129421234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).