3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine

C16H28N4O2S — CID 72893126

IUPAC3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESCCCCn1ccnc1C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H28N4O2S/c1-2-3-9-18-13-8-17-16(18)15-7-6-12-20(14-15)23(21,22)19-10-4-5-11-19/h8,13,15H,2-7,9-12,14H2,1H3
InChIKeySLGMTADLJMQOFS-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.20
Rot. Bonds6

About 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine

3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine (PubChem CID 72893126) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
PubChem CID72893126
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESCCCCn1ccnc1C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H28N4O2S/c1-2-3-9-18-13-8-17-16(18)15-7-6-12-20(14-15)23(21,22)19-10-4-5-11-19/h8,13,15H,2-7,9-12,14H2,1H3
InChIKeySLGMTADLJMQOFS-UHFFFAOYSA-N
XLogP2.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 97280885
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
CID 72924987
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The IUPAC name of 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine (CID 72893126) is 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The canonical SMILES for 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine is CCCCn1ccnc1C1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The InChIKey is SLGMTADLJMQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-2-3-9-18-13-8-17-16(18)15-7-6-12-20(14-15)23(21,22)19-10-4-5-11-19/h8,13,15H,2-7,9-12,14H2,1H3.
What are the key properties of 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine has a molecular weight of 340.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 72893126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).