(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine

C15H26N4O3S — CID 97009276

IUPAC(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine
SMILESCO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2C)C1
InChIInChI=1S/C15H26N4O3S/c1-13-16-7-10-17(13)11-14-5-3-9-19(14)23(20,21)18-8-4-6-15(12-18)22-2/h7,10,14-15H,3-6,8-9,11-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyKXYREZSFHVOFDV-GJZGRUSLSA-N
MW342.47 g/mol
LogP1.01
Rot. Bonds5

About (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine

(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine (PubChem CID 97009276) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine
PubChem CID97009276
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine
SMILESCO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2C)C1
InChIInChI=1S/C15H26N4O3S/c1-13-16-7-10-17(13)11-14-5-3-9-19(14)23(20,21)18-8-4-6-15(12-18)22-2/h7,10,14-15H,3-6,8-9,11-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyKXYREZSFHVOFDV-GJZGRUSLSA-N
XLogP1.01
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2-Ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonyl-1,4-oxazepane
CID 71873039
(3S,3aR,7aS)-1-[(1-methylimidazol-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460310
(3S*,4R*)-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-3-methoxypiperidin-4-amine
CID 56865631
((2S,4R)-4-(dimethylamino)-1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}pyrrolidin-2-yl)methanol
CID 77089036
9-[(1-Propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 84591875
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide
CID 127958386
N,2,2-trimethyl-N-[3-(1-propylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 132383714
N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide
CID 164641099
3-Propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 75372783
(3R)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 97215220
(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 97215221
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
CID 133834547

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine?
The IUPAC name of (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine (CID 97009276) is (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine.
What is the SMILES notation for (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine?
The canonical SMILES for (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine is CO[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2C)C1.
What is the InChIKey of (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine?
The InChIKey is KXYREZSFHVOFDV-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-13-16-7-10-17(13)11-14-5-3-9-19(14)23(20,21)18-8-4-6-15(12-18)22-2/h7,10,14-15H,3-6,8-9,11-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine?
(3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine has a molecular weight of 342.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-1-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]sulfonylpiperidine is sourced from PubChem (CID 97009276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).