(3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

C17H27N5O2S — CID 97205830

IUPAC(3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C17H27N5O2S/c1-3-5-9-20-11-8-18-17(20)15-7-6-10-22(13-15)25(23,24)16-12-19-21(4-2)14-16/h8,11-12,14-15H,3-7,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyQOUGZSVHOQBWBT-OAHLLOKOSA-N
MW365.50 g/mol
LogP2.47
Rot. Bonds7

About (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

(3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 97205830) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID97205830
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name(3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C17H27N5O2S/c1-3-5-9-20-11-8-18-17(20)15-7-6-10-22(13-15)25(23,24)16-12-19-21(4-2)14-16/h8,11-12,14-15H,3-7,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyQOUGZSVHOQBWBT-OAHLLOKOSA-N
XLogP2.47
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (CID 97205830) is (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is CCCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cnn(CC)c2)C1.
What is the InChIKey of (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is QOUGZSVHOQBWBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-3-5-9-20-11-8-18-17(20)15-7-6-10-22(13-15)25(23,24)16-12-19-21(4-2)14-16/h8,11-12,14-15H,3-7,9-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
(3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 365.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-butylimidazol-2-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 97205830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).